Geometry & MOs

Info

ID:	426836
PubChem CID:	135154098
Reduced:	Cl2N2O2H6C7 (1)
Stoich.:	A2B2C2D6E7 (1)
Weight, g/mol:	299.126991
ΔH_f, kcal/mol:	-40.67
Dipole, Da:	1.7
IP(EA), eV:	-10.5(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(5-cyano-2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN=C(C(=C1)Cl)Cl

DOS

IR

Vibrations