Geometry & MOs

Info

ID:	400074
PubChem CID:	135045044
Reduced:	O3C17H22 (1)
Stoich.:	A3B17C22 (1)
Weight, g/mol:	422.12453
ΔH_f, kcal/mol:	-141.17
Dipole, Da:	4.0
IP(EA), eV:	-9.74(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S,6R)-6-(4-bromophenyl)-3-methyl-2-(3-methylbut-2-enyl)cyclohex-3-en-1-yl]-phenylmethanone

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H](C2=CC=CC=C2C(=O)C1C(=O)OC(C)(C)C)C

DOS

IR

Vibrations