Geometry & MOs

Info

ID:

1549

PubChem CID:

4675

Reduced:

N2O4C35H60 (1)

Stoich.:

A2B4C35D60 (1)

Weight, g/mol:

572.455308

ΔHf, kcal/mol:

-210.27

Dipole, Da:

28.51

IP(EA), eV:

 -6.89(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)OC1CC2CCC3C(C2(CC1[N+]4(CCCCC4)C)C)CCC5(C3CC(C5OC(=O)C)[N+]6(CCCCC6)C)C

DOS

IR

Vibrations