Geometry & MOs

Info

ID:	372523
PubChem CID:	131299172
Reduced:	BrClNO2H7C8 (1)
Stoich.:	ABCD2E7F8 (1)
Weight, g/mol:	186.090546
ΔH_f, kcal/mol:	-79.22
Dipole, Da:	3.36
IP(EA), eV:	-9.19(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(aminomethyl)-1-methylbenzimidazole-2-carbonitrile

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1N)Br)Cl)CC(=O)O

DOS

IR

Vibrations