Geometry & MOs

Info

ID:

439084

PubChem CID:

135228847

Reduced:

O3N4C25H28 (1)

Stoich.:

A3B4C25D28 (1)

Weight, g/mol:

486.324629

ΔHf, kcal/mol:

-58.52

Dipole, Da:

8.2

IP(EA), eV:

 -8.71(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[6-tert-butyl-10-methoxy-2-methylidene-9-[(1E)-1-[methyl(4-methylpent-4-enyl)amino]buta-1,3-dien-2-yl]-6,7-dihydrobenzo[a]quinolizin-3-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=O)OC)C4=CN=C(N=C4)NC)C(C)(C)C

DOS

IR

Vibrations