Geometry & MOs

Info

ID:	395443
PubChem CID:	135025490
Reduced:	ClNOSC21H22 (1)
Stoich.:	ABCDE21F22 (1)
Weight, g/mol:	218.13068
ΔH_f, kcal/mol:	25.88
Dipole, Da:	1.58
IP(EA), eV:	-8.4(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-2-[hydroxy(phenyl)methyl]-3-methylcyclohexan-1-one

Drug info:

PubChemData

Smile

C1CCC(CC1)SCC2=C(N(C3=C2C(=CC=C3)Cl)O)C4=CC=CC=C4

DOS

IR

Vibrations