Geometry & MOs

Info

ID:	43154
PubChem CID:	10318944
Reduced:	ON4C25H30 (1)
Stoich.:	AB4C25D30 (1)
Weight, g/mol:	402.27701
ΔH_f, kcal/mol:	62.35
Dipole, Da:	4.88
IP(EA), eV:	-8.94(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1S)-2-[(1S,2R,5S,8aS)-1,2,5-trimethyl-5-(4-methylpent-4-enyl)-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]-1-hydroxyethyl]-2-hydroxy-2H-furan-5-one

Drug info:

PubChemData

Smile

CCCC1=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)OCCN(C)C)C

DOS

IR

Vibrations