Geometry & MOs

Info

ID:	219226
PubChem CID:	85096614
Reduced:	O5H26C30 (1)
Stoich.:	A5B26C30 (1)
Weight, g/mol:	466.210387
ΔH_f, kcal/mol:	-82.65
Dipole, Da:	1.87
IP(EA), eV:	-8.47(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-bis(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)but-2-ene-1,4-dione

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)C=CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O

DOS

IR

Vibrations