Geometry & MOs

Info

ID:	295418
PubChem CID:	117528406
Reduced:	NOC7H8 (2)
Stoich.:	ABC7D8 (2)
Weight, g/mol:	232.121178
ΔH_f, kcal/mol:	-37.33
Dipole, Da:	3.25
IP(EA), eV:	-9.12(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(2,3-dimethylbenzimidazol-5-yl)propanoate

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=C2)C(=O)OC)N=C1C3CCC3

DOS

IR

Vibrations