Geometry & MOs

Info

ID:

296829

PubChem CID:

117595296

Reduced:

ClO3N4C39H39 (1)

Stoich.:

AB3C4D39E39 (1)

Weight, g/mol:

673.307324

ΔHf, kcal/mol:

-15.59

Dipole, Da:

2.67

IP(EA), eV:

 -8.92(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane;3-hydroxy-13-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one;sulfuric acid

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NCCC(C2=CC=CC=C2)C3=CC=CC=C3.COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CC=C3.Cl

DOS

IR

Vibrations