Geometry & MOs

Info

ID:	162976
PubChem CID:	57581158
Reduced:	ClN3H6C9 (1)
Stoich.:	AB3C6D9 (1)
Weight, g/mol:	205.040675
ΔH_f, kcal/mol:	96.87
Dipole, Da:	3.72
IP(EA), eV:	-9.21(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(chloromethyl)-6-isocyano-1-methylbenzimidazole

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=C2)[N+]#[C-])N=C1Cl

DOS

IR

Vibrations