Geometry & MOs

Info

ID:	225916
PubChem CID:	87246420
Reduced:	Cl2N2O4H10C13 (1)
Stoich.:	A2B2C4D10E13 (1)
Weight, g/mol:	1111.402853
ΔH_f, kcal/mol:	-112.61
Dipole, Da:	6.37
IP(EA), eV:	-9.32(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-benzofuran-2-yl)-3-[cyclopropyl(methyl)amino]quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoxaline-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(=O)OC1=C(C(=O)N(N1)C2=CC=CC=C2Cl)C(=O)CCl

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(=O)OC1=C(C(=O)N(N1)C2=CC=CC=C2Cl)C(=O)CCl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):