Geometry & MOs

Info

ID:	27919
PubChem CID:	824154
Reduced:	ClN2O4C17H17 (1)
Stoich.:	AB2C4D17E17 (1)
Weight, g/mol:	204.11503
ΔH_f, kcal/mol:	-75.2
Dipole, Da:	7.55
IP(EA), eV:	-8.01(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,2S)-2-phenylcyclopentyl]acetic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C=NNC(=O)C2=CC=CC=C2Cl)OC)OC

DOS

IR

Vibrations