Geometry & MOs

Info

ID:	382962
PubChem CID:	134974417
Reduced:	NO2H17C25 (1)
Stoich.:	AB2C17D25 (1)
Weight, g/mol:	364.133754
ΔH_f, kcal/mol:	88.29
Dipole, Da:	7.52
IP(EA), eV:	-8.34(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-hydroxy-2-isoquinolin-2-ium-2-yl-1,4-diphenylbuta-2,3-dien-1-one

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