Geometry & MOs

Info

ID:

12954

PubChem CID:

219080

Reduced:

O3N4C37H38 (1)

Stoich.:

A3B4C37D38 (1)

Weight, g/mol:

586.294391

ΔHf, kcal/mol:

-4.35

Dipole, Da:

3.24

IP(EA), eV:

 -8.71(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 11-[1-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]piperidin-4-ylidene]-2,3,5,6-tetrahydroimidazo[2,1-b][3]benzazepine-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1CN=C2N1CCC3=CC=CC=C3C2=C4CCN(CC4)CCC5=CC=C(C=C5)OCC6=NC7=CC=CC=C7C=C6

DOS

IR

Vibrations