Geometry & MOs

Info

ID:	371967
PubChem CID:	131282863
Reduced:	BrIOF3H7C9 (1)
Stoich.:	ABCD3E7F9 (1)
Weight, g/mol:	205.085127
ΔH_f, kcal/mol:	-165.36
Dipole, Da:	5.1
IP(EA), eV:	-9.65(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-amino-4-ethyl-5-nitrophenyl)acetonitrile

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)CBr)I)C(F)(F)F

DOS

IR

Vibrations