Geometry & MOs

Info

ID:

226311

PubChem CID:

87350397

Reduced:

N2O4C31H32 (1)

Stoich.:

A2B4C31D32 (1)

Weight, g/mol:

967.388226

ΔHf, kcal/mol:

-125.89

Dipole, Da:

3.81

IP(EA), eV:

 -8.72(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]benzamide;4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-(2-pyrrolidin-1-ylethylamino)benzamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=CC4=C(CN(C4=O)C5(CCCC5)OC=O)C=C3

DOS

IR

Vibrations