Geometry & MOs

Info

ID:	45596
PubChem CID:	10515371
Reduced:	O2C17H22 (1)
Stoich.:	A2B17C22 (1)
Weight, g/mol:	258.198365
ΔH_f, kcal/mol:	-48.54
Dipole, Da:	1.56
IP(EA), eV:	-8.76(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R,2R)-2-(4-methyl-3-prop-1-en-2-ylpent-3-enyl)cyclohex-3-en-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC(CC1=CC=CC=C1)(C2=CCCCO2)OCC=C

DOS

IR

Vibrations