Geometry & MOs

Info

ID:	21541
PubChem CID:	588877
Reduced:	NO3C26H41 (1)
Stoich.:	AB3C26D41 (1)
Weight, g/mol:	415.308644
ΔH_f, kcal/mol:	-182.49
Dipole, Da:	4.48
IP(EA), eV:	-9.26(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-1-morpholin-4-ylpropan-1-one

Drug info:

PubChemData

Smile

CC(C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(=O)N5CCOCC5

DOS

IR

Vibrations