Geometry & MOs

Info

ID:	329246
PubChem CID:	126733033
Reduced:	NOC11H19 (1)
Stoich.:	ABC11D19 (1)
Weight, g/mol:	574.301842
ΔH_f, kcal/mol:	-20.73
Dipole, Da:	1.34
IP(EA), eV:	-8.7(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,6aR,6bS,8aR,9S,12aS)-11-cyano-9-hydroxy-2,2,6a,6b,9,12a-hexamethyl-10,14-dioxo-N-(2,2,2-trifluoroethyl)-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxamide

Drug info:

PubChemData

Smile

C=CO/C=C\CCCN1CCCC1

DOS

IR

Vibrations