Geometry & MOs

Info

ID:	372477
PubChem CID:	131298304
Reduced:	ClNO2H10C11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	267.98474
ΔH_f, kcal/mol:	-52.31
Dipole, Da:	0.27
IP(EA), eV:	-10.52(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(7-bromo-3H-benzimidazol-5-yl)acetate

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1CCl)C#N)C(=O)O

DOS

IR

Vibrations