Geometry & MOs

Info

ID:

189697

PubChem CID:

77890943

Reduced:

F3N4O4H27C30 (1)

Stoich.:

A3B4C4D27E30 (1)

Weight, g/mol:

530.19821

ΔHf, kcal/mol:

-208.04

Dipole, Da:

4.09

IP(EA), eV:

 -9.32(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[3-[[2-(2-pyridin-3-ylethyl)pyridin-4-yl]methylamino]propoxy]-3,4,4a,5,6,7,8,8a-octahydro-2H-isoquinolin-1-one;trihydrochloride

Drug info:

PubChemData

Smile

CC1CC(CC(C1(C)O)O)C2=C(C=NC=C2)NC(=O)C3=NC(=C(C=C3)F)C4=C(C=C(C=C4F)OC5=CC=NC=C5)F

DOS

IR

Vibrations