Geometry & MOs

Info

ID:	162975
PubChem CID:	57581116
Reduced:	ON8H26C28 (1)
Stoich.:	AB8C26D28 (1)
Weight, g/mol:	191.025025
ΔH_f, kcal/mol:	167.17
Dipole, Da:	3.29
IP(EA), eV:	-8.56(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-isocyano-1-methylbenzimidazole

Drug info:

PubChemData

Smile

CN(C)CCN(C)C(=O)C1=CC=CC2=N/C(=C\3/C4=C(NN3)N=CC(=C4)C5=CN=CC6=CC=CC=C65)/N=C21

DOS

IR

Vibrations