Geometry & MOs

Info

ID:

438992

PubChem CID:

135228753

Reduced:

N4O4C29H36 (1)

Stoich.:

A4B4C29D36 (1)

Weight, g/mol:

470.366099

ΔHf, kcal/mol:

-126.09

Dipole, Da:

13.4

IP(EA), eV:

 -8.58(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1Z)-1-(6-tert-butyl-10-ethyl-2-methylidene-3-pent-1-en-2-yl-6,7-dihydrobenzo[a]quinolizin-9-yl)-N-methyl-N-propan-2-ylbuta-1,3-dien-1-amine

Drug info:

PubChemData

Smile

CCCN(CCC)C1=NC=C(C=N1)C2=C(C=C3C(=C2)CC(N4C3=CC(=O)C(=C4)C(=O)O)C(C)(C)C)OC

DOS

IR

Vibrations