Geometry & MOs

Info

ID:	61659
PubChem CID:	26711546
Reduced:	BrN2O2C20H26 (1)
Stoich.:	AB2C2D20E26 (1)
Weight, g/mol:	268.096026
ΔH_f, kcal/mol:	-25.07
Dipole, Da:	6.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.014242
Charge, e:	0

Chem-info

IUPAC name:

N-(6-methoxypyridin-3-yl)-3H-benzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)COC2=CC=C(C=C2)Br

DOS

IR

Vibrations