Geometry & MOs

Info

ID:	311726
PubChem CID:	126597489
Reduced:	FO4N6C19H19 (1)
Stoich.:	AB4C6D19E19 (1)
Weight, g/mol:	680.333571
ΔH_f, kcal/mol:	-100.68
Dipole, Da:	2.75
IP(EA), eV:	-8.54(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-(1H-indol-7-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-(2-methyl-1H-indol-7-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

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

C[C@H]([C@@H](CO)NC(=O)OC1=CNC2=NC=C(N=C12)C3=NN(C4=C3C=CC(=C4)F)C)O

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

C[C@H]([C@@H](CO)NC(=O)OC1=CNC2=NC=C(N=C12)C3=NN(C4=C3C=CC(=C4)F)C)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):