Geometry & MOs

Info

ID:	373786
PubChem CID:	131320065
Reduced:	BrClNO2C11H13 (1)
Stoich.:	ABCD2E11F13 (1)
Weight, g/mol:	212.106196
ΔH_f, kcal/mol:	-75.89
Dipole, Da:	5.28
IP(EA), eV:	-9.7(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-[1-(4-methylphenyl)imidazol-4-yl]acetonitrile

Drug info:

PubChemData

Smile

CC(C)([C@@H](C1=C(C(=CC=C1)Br)Cl)N)C(=O)O

DOS

IR

Vibrations