Geometry & MOs

Info

ID:	412090
PubChem CID:	135084956
Reduced:	NOC11H21 (1)
Stoich.:	ABC11D21 (1)
Weight, g/mol:	633.20106
ΔH_f, kcal/mol:	-67.77
Dipole, Da:	0.93
IP(EA), eV:	-8.05(1.37)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

carbanide;1,3-dimethyl-2H-benzimidazol-2-ide;iridium;triphenylphosphanium

Drug info:

PubChemData

Smile

CC(C)N1CC(C=C1)CC(C)(C)O

DOS

IR

Vibrations