Geometry & MOs

Info

ID:	70
PubChem CID:	2054
Reduced:	NO4H7C10 (1)
Stoich.:	AB4C7D10 (1)
Weight, g/mol:	205.037508
ΔH_f, kcal/mol:	-95.89
Dipole, Da:	5.27
IP(EA), eV:	-9.35(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C=C(C#N)C(=O)O)O)O

DOS

IR

Vibrations