Geometry & MOs

Info

ID:

439005

PubChem CID:

135228767

Reduced:

NC31H45 (1)

Stoich.:

AB31C45 (1)

Weight, g/mol:

441.314398

ΔHf, kcal/mol:

22.04

Dipole, Da:

1.34

IP(EA), eV:

 -8.44(0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(E)-1-(6-tert-butyl-10-ethyl-2-methylidene-3-prop-1-en-2-yl-6,7-dihydrobenzo[a]quinolizin-9-yl)ethylideneamino]-N-ethenylprop-2-en-1-amine

Drug info:

PubChemData

Smile

CCCC(=C)/C(=C/C)/C(=C)/C=C(\C)/C1=C(C=C(C(=C1)C)/C(=C/N)/C=C)CC(C)C(C)(C)C

DOS

IR

Vibrations