Geometry & MOs

Info

ID:	439091
PubChem CID:	135228854
Reduced:	N3O3C25H31 (1)
Stoich.:	A3B3C25D31 (1)
Weight, g/mol:	427.298748
ΔH_f, kcal/mol:	-76.99
Dipole, Da:	3.44
IP(EA), eV:	-8.89(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4Z)-5-(6-tert-butyl-10-ethyl-2-methylidene-3-prop-1-en-2-yl-6,7-dihydrobenzo[a]quinolizin-9-yl)-6-iminohexa-2,4-dien-2-amine

Drug info:

PubChemData

Smile

C/C=C(/C(=O)C)\C(=O)/C=C(/C1=CC(=C(C=C1CCC(C)C)C2=CN=C(N=C2)C)OC)\N

DOS

IR

Vibrations