Geometry & MOs

Info

ID:	41848
PubChem CID:	8147305
Reduced:	O3H16C22 (1)
Stoich.:	A3B16C22 (1)
Weight, g/mol:	415.141973
ΔH_f, kcal/mol:	-28.52
Dipole, Da:	2.05
IP(EA), eV:	-9.27(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-(3-methylphenyl)isoquinoline-1,3-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H]2/C(=C\C3=CC(=CC=C3)O)/C(=O)C4=CC=CC=C4O2

DOS

IR

Vibrations