Geometry & MOs

Info

ID:	382963
PubChem CID:	134974418
Reduced:	NO2H18C25 (1)
Stoich.:	AB2C18D25 (1)
Weight, g/mol:	364.133754
ΔH_f, kcal/mol:	68.44
Dipole, Da:	3.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.262787
Charge, e:	1

Chem-info

IUPAC name:

(E)-2-isoquinolin-2-ium-2-yl-1,4-diphenylbut-2-ene-1,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=C=C(C(=O)C2=CC=CC=C2)[N+]3=CC4=CC=CC=C4C=C3)O

DOS

IR

Vibrations