Geometry & MOs

Info

ID:	18435
PubChem CID:	540922
Reduced:	NO5C22H31 (1)
Stoich.:	AB5C22D31 (1)
Weight, g/mol:	389.220223
ΔH_f, kcal/mol:	-243.48
Dipole, Da:	4.45
IP(EA), eV:	-10.15(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[8-(2-acetyloxy-2-cyanoethyl)-4a-methyl-7-oxo-1,2,3,4,4b,5,6,8,8a,9,10,10a-dodecahydrophenanthren-2-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC1CCC2(C(C1)CCC3C2CCC(=O)C3CC(C#N)OC(=O)C)C

DOS

IR

Vibrations