Geometry & MOs

Info

ID:	424126
PubChem CID:	135121430
Reduced:	O2N3H7C11 (1)
Stoich.:	A2B3C7D11 (1)
Weight, g/mol:	224.068473
ΔH_f, kcal/mol:	44.14
Dipole, Da:	5.8
IP(EA), eV:	-9.43(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-hydroxyphenyl)-2,3-dimethoxyprop-2-enoic acid

Drug info:

PubChemData

Smile

C1=COC(=C1)C2C(=COC(=C2C#N)N)C#N

DOS

IR

Vibrations