Geometry & MOs

Info

ID:	13234
PubChem CID:	223664
Reduced:	NO2H3C5 (2)
Stoich.:	AB2C3D5 (2)
Weight, g/mol:	218.032757
ΔH_f, kcal/mol:	-12.81
Dipole, Da:	4.33
IP(EA), eV:	-11.07(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])C=C(C#N)C(=O)O

DOS

IR

Vibrations