Geometry & MOs

Info

ID:

438843

PubChem CID:

135228601

Reduced:

N3O6C28H37 (1)

Stoich.:

A3B6C28D37 (1)

Weight, g/mol:

487.319878

ΔHf, kcal/mol:

-226.74

Dipole, Da:

12.81

IP(EA), eV:

 -8.5(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[6-tert-butyl-9-[(Z)-3-imino-1-[methyl(4-methylpent-4-enyl)amino]prop-1-en-2-yl]-10-methoxy-2-methylidene-6,7-dihydrobenzo[a]quinolizin-3-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)(C)C1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)OC)/C(=C/N(C)CCCC(C)(O)O)/C=N

DOS

IR

Vibrations