Geometry & MOs

Info

ID:	159469
PubChem CID:	57280274
Reduced:	OC16H32 (2)
Stoich.:	AB16C32 (2)
Weight, g/mol:	316.24023
ΔH_f, kcal/mol:	-231.88
Dipole, Da:	1.72
IP(EA), eV:	-10.26(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aR)-5-[(2R)-8-hydroxy-8-methylnona-4,6-dien-2-yl]-4a-methyl-2,3,4,7,8,8a-hexahydronaphthalen-1-one

Drug info:

PubChemData

Smile

CCCCCCCCC(CCCCCCC)C(=O)OCCCCCCC(CC)C(CC)CCC

DOS

IR

Vibrations