Geometry & MOs

Info

ID:	6817
PubChem CID:	70156
Reduced:	NO4H7C9 (1)
Stoich.:	AB4C7D9 (1)
Weight, g/mol:	193.037508
ΔH_f, kcal/mol:	-50.09
Dipole, Da:	1.92
IP(EA), eV:	-10.81(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-nitrophenyl)prop-2-enoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=CC(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations