Geometry & MOs

Info

ID:

168954

PubChem CID:

75045433

Reduced:

N3O3C35H53 (1)

Stoich.:

A3B3C35D53 (1)

Weight, g/mol:

612.403942

ΔHf, kcal/mol:

-161.64

Dipole, Da:

6.59

IP(EA), eV:

 -8.51(0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3-hydroxy-2-[1-(3-hydroxy-10,11b-dimethyl-1,2,3,4,6,6a,11,11a-octahydrobenzo[a]fluoren-9-yl)ethyl]-5-methylpiperidin-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CC(=O)N2CC(CC(C2C(C)C3=C(C4=C(C=C3)C5CC=C6CC(CCC6(C5C4)C)O)C)O)C

DOS

IR

Vibrations