Geometry & MOs

Info

ID:	132459
PubChem CID:	51363789
Reduced:	ClO3N4H21C23 (1)
Stoich.:	AB3C4D21E23 (1)
Weight, g/mol:	455.148121
ΔH_f, kcal/mol:	-46.24
Dipole, Da:	4.51
IP(EA), eV:	-8.6(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methoxyphenyl)isoquinolin-1-one

Drug info:

PubChemData

Smile

CN1C=C(C2=C1C(=O)N(C=N2)CC(=O)NCC3=CC=C(C=C3)Cl)C4=CC(=CC=C4)OC

DOS

IR

Vibrations