Geometry & MOs

Info

ID:	373824
PubChem CID:	131320377
Reduced:	INO2F3H3C9 (1)
Stoich.:	ABC2D3E3F9 (1)
Weight, g/mol:	284.96367
ΔH_f, kcal/mol:	-163.02
Dipole, Da:	3.7
IP(EA), eV:	-10.76(-2.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-bromo-5-methyl-4-nitrophenyl)prop-2-enoic acid

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1I)C(=O)O)C(F)(F)F)C#N

DOS

IR

Vibrations