Geometry & MOs

Info

ID:	66435
PubChem CID:	46504569
Reduced:	FN3O6C31H34 (1)
Stoich.:	AB3C6D31E34 (1)
Weight, g/mol:	563.243164
ΔH_f, kcal/mol:	-195.37
Dipole, Da:	9.47
IP(EA), eV:	-8.49(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dimethoxyphenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-1-one

Drug info:

PubChemData

Smile

CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)C4=CC=CC=C4F)C5=CC(=C(C=C5)OC)OC

DOS

IR

Vibrations