Geometry & MOs

Info

ID:

438752

PubChem CID:

135228505

Reduced:

N3O4C23H25 (1)

Stoich.:

A3B4C23D25 (1)

Weight, g/mol:

483.361348

ΔHf, kcal/mol:

-113.15

Dipole, Da:

12.8

IP(EA), eV:

 -9.39(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=NN1)C2=C(C=C3C(=C2)CC(N4C3=CC(=O)C(=C4)C(=O)O)C(C)(C)C)OC

DOS

IR

Vibrations