Geometry & MOs

Info

ID:

169240

PubChem CID:

75077851

Reduced:

O17C50H80 (1)

Stoich.:

A17B50C80 (1)

Weight, g/mol:

716.405004

ΔHf, kcal/mol:

-834.46

Dipole, Da:

10.54

IP(EA), eV:

 -9.8(0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N-dimethyl-3-[4-oxo-3-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]-12b-(2-phenylethyl)-1-(piperidine-1-carbonyl)-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-10-yl]propanamide

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OC2C(CC(C(C2OC3C(C(C(CO3)O)O)O)O)COC(=O)C)OC4CCC5(C6CCC7C(CCC7(C6(CCC5C4(C)C)C)C)C8(CC(OC8=O)C=C(C)C)O)C)O)O)O

DOS

IR

Vibrations