Geometry & MOs

Info

ID:	388980
PubChem CID:	134990797
Reduced:	NO3C19H23 (1)
Stoich.:	AB3C19D23 (1)
Weight, g/mol:	314.22458
ΔH_f, kcal/mol:	-95.53
Dipole, Da:	3.14
IP(EA), eV:	-9.31(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S,9S,10R,11R,13S,14S,17S)-3,10,13-trimethylspiro[1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-oxirane]-11-ol

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]([C@H](C1=CC=CC=C1)N[C@@H](C)C2=CC=CC=C2)O

DOS

IR

Vibrations