Geometry & MOs

Info

ID:	150643
PubChem CID:	53790337
Reduced:	NOC23H39 (1)
Stoich.:	ABC23D39 (1)
Weight, g/mol:	345.303165
ΔH_f, kcal/mol:	-91.32
Dipole, Da:	2.17
IP(EA), eV:	-8.66(2.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@]12CCC[C@H]1[C@@H]3CCC4CC[C@H](C[C@@]4([C@H]3CC2)C)N5CCOCC5

DOS

IR

Vibrations