Geometry & MOs

Info

ID:	399059
PubChem CID:	135037417
Reduced:	NO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	234.089209
ΔH_f, kcal/mol:	-101.49
Dipole, Da:	2.79
IP(EA), eV:	-8.85(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-4-phenylcyclopentane-1,2-dicarboxylic acid

Drug info:

PubChemData

Smile

CC(C)C(C=O)OC(=O)N(C)C1=CC=CC=C1

DOS

IR

Vibrations