Geometry & MOs

Info

ID:

218822

PubChem CID:

85090031

Reduced:

O5C32H50 (1)

Stoich.:

A5B32C50 (1)

Weight, g/mol:

514.413444

ΔHf, kcal/mol:

-251.46

Dipole, Da:

4.56

IP(EA), eV:

 -9.62(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC(=O)OC1CC2(C(C=CCC3(C2C=C(C3=O)C)O)C4C1C4(C)C)O

DOS

IR

Vibrations