Geometry & MOs

Info

ID:	377158
PubChem CID:	134223196
Reduced:	FNOC14H20 (1)
Stoich.:	ABCD14E20 (1)
Weight, g/mol:	348.266445
ΔH_f, kcal/mol:	-100.73
Dipole, Da:	4.92
IP(EA), eV:	-8.91(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-[(3S,3aR,5aR,9aR)-7-hydroxy-3a,6,6,9a-tetramethyl-1,2,3,4,5,5a,7,8,9,9b-decahydrocyclopenta[a]naphthalen-3-yl]-5-methyloxolan-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1N(C)C(=O)C)C(C)(C)C)F

DOS

IR

Vibrations