Geometry & MOs

Info

ID:	54302
PubChem CID:	16962378
Reduced:	O5N6C24H28 (1)
Stoich.:	A5B6C24D28 (1)
Weight, g/mol:	384.05857
ΔH_f, kcal/mol:	-98.74
Dipole, Da:	4.71
IP(EA), eV:	-9.04(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CCNC3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations