Geometry & MOs

Info

ID:	13287
PubChem CID:	224937
Reduced:	N2O3C11H18 (1)
Stoich.:	A2B3C11D18 (1)
Weight, g/mol:	226.131742
ΔH_f, kcal/mol:	-148.03
Dipole, Da:	8.95
IP(EA), eV:	-9.78(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)butanoic acid

Drug info:

PubChemData

Smile

C1CC2C(CC1CCCC(=O)O)NC(=O)N2

DOS

IR

Vibrations