Geometry & MOs

Info

ID:	89
PubChem CID:	2101
Reduced:	NO3H7C10 (1)
Stoich.:	AB3C7D10 (1)
Weight, g/mol:	189.042593
ΔH_f, kcal/mol:	-55.0
Dipole, Da:	2.79
IP(EA), eV:	-9.68(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations