Geometry & MOs

Info

ID:	302548
PubChem CID:	124385023
Reduced:	NO2C17H21 (1)
Stoich.:	AB2C17D21 (1)
Weight, g/mol:	247.120843
ΔH_f, kcal/mol:	-74.53
Dipole, Da:	4.23
IP(EA), eV:	-8.21(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[(1R,2Z)-2-hydroxyiminocyclopentyl]methyl]phenyl]acetic acid

Drug info:

PubChemData

Smile

CCC1=C2C(=CC=C1)C3=C(N2)[C@@](CC3)(CC)CC(=O)O

DOS

IR

Vibrations