Geometry & MOs

Info

ID:

168955

PubChem CID:

75045434

Reduced:

O3N4C38H52 (1)

Stoich.:

A3B4C38D52 (1)

Weight, g/mol:

613.399191

ΔHf, kcal/mol:

-119.05

Dipole, Da:

7.11

IP(EA), eV:

 -8.54(0.01)

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-pyrazin-2-ylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1CC(C(N(C1)C(=O)CN2CCN(CC2)C3=CC=CC=N3)C(C)C4=C(C5=C(C=C4)C6CC=C7CC(CCC7(C6C5)C)O)C)O

DOS

IR

Vibrations