Geometry & MOs

Info

ID:	191946
PubChem CID:	78207357
Reduced:	O3N4C16H17 (1)
Stoich.:	A3B4C16D17 (1)
Weight, g/mol:	256.070874
ΔH_f, kcal/mol:	-44.38
Dipole, Da:	2.09
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.759080
Charge, e:	0

Chem-info

IUPAC name:

2-(methylamino)-2-oxo-N-[(2-oxobenzimidazol-5-yl)amino]ethanimidoyl cyanide

Drug info:

PubChemData

Smile

CN1C(=O)C(C(=[N+](C1=O)C)NCC2=CC=CC=C2)C(=O)CC#N

DOS

IR

Vibrations