Geometry & MOs

Info

ID:	386296
PubChem CID:	134981318
Reduced:	AuBrC16H24 (1)
Stoich.:	ABC16D24 (1)
Weight, g/mol:	188.120115
ΔH_f, kcal/mol:	105.88
Dipole, Da:	10.13
IP(EA), eV:	-9.41(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-methyl-3-phenylcyclohexan-1-one

Drug info:

PubChemData

Smile

C1CCCC#CCC1.C1CCCC#CCC1.Br[Au]

DOS

IR

Vibrations