Geometry & MOs

Info

ID:	374024
PubChem CID:	131322446
Reduced:	NO2F4H7C9 (1)
Stoich.:	AB2C4D7E9 (1)
Weight, g/mol:	254.96434
ΔH_f, kcal/mol:	-270.02
Dipole, Da:	2.78
IP(EA), eV:	-9.06(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-amino-6-bromo-3-nitrophenyl)acetonitrile

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=CC(=C1OC(F)(F)F)F)N

DOS

IR

Vibrations