Geometry & MOs

Info

ID:	176779
PubChem CID:	76097706
Reduced:	ClO2C21H39 (1)
Stoich.:	AB2C21D39 (1)
Weight, g/mol:	412.334131
ΔH_f, kcal/mol:	-178.25
Dipole, Da:	1.82
IP(EA), eV:	-9.59(0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[1-(5,6-dimethylhept-3-en-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,1-diol

Drug info:

PubChemData

Smile

CCCCC(CC=CC1CCCC1CCCCCCC(O)O)CCl

DOS

IR

Vibrations