Geometry & MOs

Info

ID:	339252
PubChem CID:	127260631
Reduced:	NOSC14H15 (1)
Stoich.:	ABCD14E15 (1)
Weight, g/mol:	278.167065
ΔH_f, kcal/mol:	-9.47
Dipole, Da:	1.99
IP(EA), eV:	-8.07(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-3-benzyl-2-(4-methylphenyl)cyclohexan-1-one

Drug info:

PubChemData

Smile

CN\1C2=CC=CC=C2S/C1=C/3\CCCCC3=O

DOS

IR

Vibrations