Geometry & MOs

Info

ID:

440150

PubChem CID:

135230051

Reduced:

N3C28H45 (1)

Stoich.:

A3B28C45 (1)

Weight, g/mol:

453.408299

ΔHf, kcal/mol:

57.62

Dipole, Da:

3.02

IP(EA), eV:

-8.03(0.43)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2-[[4-[(8-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl]methyl]-2,3,4,6,7,9a-hexahydro-1H-quinolizine

Drug info:

PubChemData

Smile

CC1CCCC2N1CC2CC3CCCC4N3CCC=C4CC5CCCC6N5CC=CC6

DOS

IR

Vibrations