Geometry & MOs

Info

ID:	426797
PubChem CID:	135153902
Reduced:	N2O3C14H14 (1)
Stoich.:	A2B3C14D14 (1)
Weight, g/mol:	285.111341
ΔH_f, kcal/mol:	-39.26
Dipole, Da:	6.22
IP(EA), eV:	-9.22(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-cyano-2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NOC(=C2)NC(=O)CCC=O

DOS

IR

Vibrations