Geometry & MOs

Info

ID:

439157

PubChem CID:

135228922

Reduced:

N3O4C31H41 (1)

Stoich.:

A3B4C31D41 (1)

Weight, g/mol:

382.240899

ΔHf, kcal/mol:

-117.71

Dipole, Da:

12.86

IP(EA), eV:

 -9.34(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[6-tert-butyl-10-methyl-2-methylidene-9-[(3E)-penta-1,3-dien-3-yl]-6,7-dihydrobenzo[a]quinolizin-3-yl]prop-2-enenitrile

Drug info:

PubChemData

Smile

CCCC(NCC1CC1)/N=C\C(=C/C)\C2=C(C=C3C(=C2)CC(N4C3=CC(=O)C(=C4)C(=O)O)C(C)(C)C)OC

DOS

IR

Vibrations