Geometry & MOs

Info

ID:	220256
PubChem CID:	85177134
Reduced:	OC16H28 (1)
Stoich.:	AB16C28 (1)
Weight, g/mol:	237.027337
ΔH_f, kcal/mol:	-88.09
Dipole, Da:	1.91
IP(EA), eV:	-9.48(1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-4-(2-nitrophenyl)-2-oxobut-3-enoic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)C=CCC(C2CCCCC2)O

DOS

IR

Vibrations