Geometry & MOs

Info

ID:	404797
PubChem CID:	135071059
Reduced:	NC12H19 (1)
Stoich.:	AB12C19 (1)
Weight, g/mol:	224.060407
ΔH_f, kcal/mol:	19.03
Dipole, Da:	3.05
IP(EA), eV:	-9.24(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-(3-chlorophenyl)-5,5-dimethyloxolan-2-one

Drug info:

PubChemData

Smile

CC(=CCCCC(C)(C=C)C#N)C

DOS

IR

Vibrations