Geometry & MOs

Info

ID:	217101
PubChem CID:	85087259
Reduced:	O3C21H32 (1)
Stoich.:	A3B21C32 (1)
Weight, g/mol:	332.235145
ΔH_f, kcal/mol:	-137.76
Dipole, Da:	5.51
IP(EA), eV:	-9.78(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(hydroxymethyl)-1,4a-dimethyl-6-methylidene-5-[2-(5-methylidene-2H-furan-4-yl)ethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-ol

Drug info:

PubChemData

Smile

CCCCC=CCCC1C=CC(=O)C1=CCCCCC(=O)OCC

DOS

IR

Vibrations