Geometry & MOs

Info

ID:	402764
PubChem CID:	135057176
Reduced:	NSO4C10H17 (1)
Stoich.:	ABC4D10E17 (1)
Weight, g/mol:	214.135765
ΔH_f, kcal/mol:	-176.52
Dipole, Da:	2.5
IP(EA), eV:	-9.05(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-(2-phenylethyl)cyclohex-2-en-1-one

Drug info:

PubChemData

Smile

CC(=O)N[C@@H](CSCC=CCO)C(=O)OC

DOS

IR

Vibrations