Geometry & MOs

Info

ID:	438944
PubChem CID:	135228705
Reduced:	F2N3O3C24H27 (1)
Stoich.:	A2B3C3D24E27 (1)
Weight, g/mol:	555.367222
ΔH_f, kcal/mol:	-174.88
Dipole, Da:	9.04
IP(EA), eV:	-8.63(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-tert-butyl-9-[2-[[3-hydroxypropyl(methyl)amino]methyl]-4-iminobut-2-enyl]-10-methoxy-1,9-dimethyl-2-oxo-6,7,10,11b-tetrahydro-1H-benzo[a]quinolizine-3-carboxylate

Drug info:

PubChemData

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)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=O)OC)/C(=C/N)/C=N/C(F)F)C(C)(C)C

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)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=O)OC)/C(=C/N)/C=N/C(F)F)C(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):