Geometry & MOs

Info

ID:	398774
PubChem CID:	135035352
Reduced:	OC26H30 (1)
Stoich.:	AB26C30 (1)
Weight, g/mol:	344.214016
ΔH_f, kcal/mol:	-3.87
Dipole, Da:	3.39
IP(EA), eV:	-9.04(0.12)
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]-phenylmethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations