Geometry & MOs

Info

ID:	372422
PubChem CID:	131297416
Reduced:	BrNO3C10H12 (1)
Stoich.:	ABC3D10E12 (1)
Weight, g/mol:	191.069477
ΔH_f, kcal/mol:	-110.54
Dipole, Da:	2.84
IP(EA), eV:	-9.82(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-amino-4-methyl-6-nitrophenyl)acetonitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C(C(C(=O)O)O)N

DOS

IR

Vibrations