Geometry & MOs

Info

ID:	18443
PubChem CID:	541028
Reduced:	O3C23H34 (1)
Stoich.:	A3B23C34 (1)
Weight, g/mol:	358.250795
ΔH_f, kcal/mol:	-171.61
Dipole, Da:	3.48
IP(EA), eV:	-9.12(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[17-(1-hydroxyethyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Drug info:

PubChemData

Smile

CC(C1CC=C2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C)O

DOS

IR

Vibrations