Geometry & MOs

Info

ID:	441811
PubChem CID:	135245110
Reduced:	O3C10H16 (2)
Stoich.:	A3B10C16 (2)
Weight, g/mol:	322.250795
ΔH_f, kcal/mol:	-326.05
Dipole, Da:	3.47
IP(EA), eV:	-10.52(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,7aS)-5-[(1S,2S)-4-hydroxy-2-(2-hydroxyethyl)-1-methylcyclohexyl]-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-4-ol

Drug info:

PubChemData

Smile

CC(=O)OCC1CCC(CC1)COC(=O)C2CCC(CC2)COC(=O)C

DOS

IR

Vibrations