Geometry & MOs

Info

ID:	81083
PubChem CID:	49854329
Reduced:	O3N4H20C24 (1)
Stoich.:	A3B4C20D24 (1)
Weight, g/mol:	278.116761
ΔH_f, kcal/mol:	-27.26
Dipole, Da:	8.12
IP(EA), eV:	-9.24(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1H-isoindol-1-yl)-1H-benzimidazole-4-carboxamide

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2C(N1C(=O)OCC3=CC=CC=C3)C4=NC5=C(C=CC=C5N4)C(=O)N

DOS

IR

Vibrations