Geometry & MOs

Info

ID:	216672
PubChem CID:	85086591
Reduced:	O2C19H30 (1)
Stoich.:	A2B19C30 (1)
Weight, g/mol:	290.203451
ΔH_f, kcal/mol:	-128.52
Dipole, Da:	0.96
IP(EA), eV:	-9.58(1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3,4-dimethyl-6-(4-methylphenyl)cyclohex-3-en-1-yl]-4-methylbenzene

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2O)CCC4C3(CC=CC4)CO

DOS

IR

Vibrations