Geometry & MOs

Info

ID:	83321
PubChem CID:	49857448
Reduced:	O4C21H30 (1)
Stoich.:	A4B21C30 (1)
Weight, g/mol:	302.22458
ΔH_f, kcal/mol:	-136.2
Dipole, Da:	10.74
IP(EA), eV:	-9.11(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,4aS,8aS)-1-[2-(furan-3-yl)ethyl]-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-2-yl]methanol

Drug info:

PubChemData

Smile

C[C@]12CCCC([C@@H]1CC=C([C@@H]2CCC3=CC(=O)OC3)C(=O)OC)(C)C

DOS

IR

Vibrations