Geometry & MOs

Info

ID:	18205
PubChem CID:	538904
Reduced:	NO4C23H33 (1)
Stoich.:	AB4C23D33 (1)
Weight, g/mol:	387.240959
ΔH_f, kcal/mol:	-193.93
Dipole, Da:	2.83
IP(EA), eV:	-9.8(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[8-(2-acetyloxy-2-cyanoethyl)-4a-methyl-7-methylidene-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(=C)C3CC(C#N)OC(=O)C)C

DOS

IR

Vibrations