Geometry & MOs

Info

ID:	1542
PubChem CID:	4667
Reduced:	O4C25H38 (1)
Stoich.:	A4B25C38 (1)
Weight, g/mol:	402.27701
ΔH_f, kcal/mol:	-191.38
Dipole, Da:	4.99
IP(EA), eV:	-9.68(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-(1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)-1-hydroxy-4-methylhex-3-enyl]-2-hydroxy-2H-furan-5-one

Drug info:

PubChemData

Smile

CC1CCC2(C(C1(C)CCC(=CCC(C3=CC(=O)OC3O)O)C)CCCC2=C)C

DOS

IR

Vibrations