Geometry & MOs

Info

ID:

389178

PubChem CID:

134991397

Reduced:

O2N3C29H32 (2)

Stoich.:

A2B3C29D32 (2)

Weight, g/mol:

480.181585

ΔHf, kcal/mol:

13.08

Dipole, Da:

5.32

IP(EA), eV:

 -8.39(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-ethenyl-2-[hydroxy-(6-methoxy-3,4-dihydroquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-4-yl] 4-chlorobenzoate

Drug info:

PubChemData

Smile

CC12CCN(CC1C=C)C(C2)C(C3CC=NC4=C3C=C(C=C4)OC)OC5=C(C(=NC(=N5)C6=CC=CC=C6)OC(C7CC=NC8=C7C=C(C=C8)OC)C9CC1(CCN9CC1C=C)C)C1=CC=CC=C1

DOS

IR

Vibrations