Geometry & MOs

Info

ID:

168953

PubChem CID:

75045432

Reduced:

ClNO3C29H40 (1)

Stoich.:

ABC3D29E40 (1)

Weight, g/mol:

563.408693

ΔHf, kcal/mol:

-166.9

Dipole, Da:

4.12

IP(EA), eV:

 -8.89(0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(4-ethylpiperazin-1-yl)-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]ethanone

Drug info:

PubChemData

Smile

CC1CC(C(N(C1)C(=O)CCl)C(C)C2=C(C3=C(C=C2)C4CC=C5CC(CCC5(C4C3)C)O)C)O

DOS

IR

Vibrations