Geometry & MOs

Info

ID:	161505
PubChem CID:	57391841
Reduced:	NO3C21H31 (1)
Stoich.:	AB3C21D31 (1)
Weight, g/mol:	427.225977
ΔH_f, kcal/mol:	-132.84
Dipole, Da:	2.17
IP(EA), eV:	-8.16(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R,9S,13S,14S,15R)-3-methoxy-13-methyl-15-(4-phenyltriazol-1-yl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

Drug info:

PubChemData

Smile

CC(C)(COC1=CC2=C(C=C1)OC3(CC2)CCN(CC3)C4CCC4)O

DOS

IR

Vibrations