Geometry & MOs

Info

ID:	220737
PubChem CID:	85230827
Reduced:	NO2C13H25 (1)
Stoich.:	AB2C13D25 (1)
Weight, g/mol:	228.023415
ΔH_f, kcal/mol:	-117.82
Dipole, Da:	2.64
IP(EA), eV:	-9.15(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-difluorophenyl)-4-hydroxy-2-oxobut-3-enoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)OC)NCCC=C(C)C

DOS

IR

Vibrations