Geometry & MOs

Info

ID:	379939
PubChem CID:	134964365
Reduced:	OC13H18 (1)
Stoich.:	AB13C18 (1)
Weight, g/mol:	241.110279
ΔH_f, kcal/mol:	-24.24
Dipole, Da:	1.58
IP(EA), eV:	-8.74(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-2-oxo-1-(3-oxo-3-phenylpropyl)cyclopentane-1-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H](C=C)OC1=CC=CC=C1

DOS

IR

Vibrations