Geometry & MOs

Info

ID:	398773
PubChem CID:	135035347
Reduced:	ClOC25H27 (1)
Stoich.:	ABC25D27 (1)
Weight, g/mol:	358.229666
ΔH_f, kcal/mol:	-2.83
Dipole, Da:	4.35
IP(EA), eV:	-9.21(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S,6R)-3-methyl-2-(3-methylbut-2-enyl)-6-phenylcyclohex-3-en-1-yl]-(4-methylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=CC[C@H]([C@@H]([C@@H]1CC=C(C)C)C(=O)C2=CC=CC=C2Cl)C3=CC=CC=C3

DOS

IR

Vibrations