Geometry & MOs

Info

ID:

439128

PubChem CID:

135228893

Reduced:

N3O3C31H39 (1)

Stoich.:

A3B3C31D39 (1)

Weight, g/mol:

430.262028

ΔHf, kcal/mol:

-111.8

Dipole, Da:

15.75

IP(EA), eV:

 -8.54(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[6-tert-butyl-10-methoxy-2-methylidene-9-[2-[(2Z)-penta-2,4-dien-2-yl]iminoethyl]-6,7-dihydrobenzo[a]quinolizin-3-yl]ethanone

Drug info:

PubChemData

Smile

CCCN(CCC)C1=NC=C(C=C1)C2=C(C=C3C(=C2)CC(N4C3=CC(=O)C(=C4)C(=O)O)C(C)(C)C)CC

DOS

IR

Vibrations