Geometry & MOs

Info

ID:	18426
PubChem CID:	540849
Reduced:	OC11H15 (2)
Stoich.:	AB11C15 (2)
Weight, g/mol:	326.22458
ΔH_f, kcal/mol:	-106.0
Dipole, Da:	2.45
IP(EA), eV:	-8.19(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10,13,17-trimethyl-1,2,3,4,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl) acetate

Drug info:

PubChemData

Smile

CC(=O)OC1(CCC2C1(CC=C3C2=CC=C4C3(CCCC4)C)C)C

DOS

IR

Vibrations