Geometry & MOs

Info

ID:	47985
PubChem CID:	10536162
Reduced:	ClNO4H6C7 (1)
Stoich.:	ABC4D6E7 (1)
Weight, g/mol:	204.089878
ΔH_f, kcal/mol:	-110.15
Dipole, Da:	3.42
IP(EA), eV:	-11.13(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(benzimidazol-1-yl)propanoate

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C(=O)Cl)C(=O)OC

DOS

IR

Vibrations