Geometry & MOs

Info

ID:	303819
PubChem CID:	124490215
Reduced:	BrON2H15C16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	304.24023
ΔH_f, kcal/mol:	39.39
Dipole, Da:	5.71
IP(EA), eV:	-9.38(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5S,8S,9R,10S,12R,13R,14S,17S)-17-hydroxy-1,10,12-trimethyl-2,4,5,6,7,8,9,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CN1CC(=O)NC2=C([C@H]1C3=CC=CC=C3)C=C(C=C2)Br

DOS

IR

Vibrations