Geometry & MOs

Info

ID:	424128
PubChem CID:	135121435
Reduced:	O5C6N6H16 (1)
Stoich.:	A5B6C6D16 (1)
Weight, g/mol:	238.084124
ΔH_f, kcal/mol:	-206.67
Dipole, Da:	10.09
IP(EA), eV:	-9.9(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-2-(3-hydroxy-2-methoxyphenyl)pent-2-enoic acid

Drug info:

PubChemData

Smile

C(C(C(=O)[O-])O)C(=O)[O-].C(=[NH2+])(N)N.C(=[NH2+])(N)N

DOS

IR

Vibrations