Geometry & MOs

Info

ID:

439147

PubChem CID:

135228912

Reduced:

N3O5C26H27 (1)

Stoich.:

A3B5C26D27 (1)

Weight, g/mol:

469.309313

ΔHf, kcal/mol:

-164.37

Dipole, Da:

12.59

IP(EA), eV:

 -9.06(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1E,3E)-4-(6-tert-butyl-10-methoxy-2-methylidene-3-prop-1-en-2-yl-6,7-dihydrobenzo[a]quinolizin-9-yl)-1-N'-prop-1-en-2-ylhexa-1,3,5-triene-1,1-diamine

Drug info:

PubChemData

Smile

CC(=O)NC1=NC=C(C=C1)C2=C(C=C3C(=C2)CC(N4C3=CC(=O)C(=C4)C(=O)O)C(C)(C)C)OC

DOS

IR

Vibrations