Geometry & MOs

Info

ID:	66446
PubChem CID:	46504588
Reduced:	ClO4N5C31H36 (1)
Stoich.:	AB4C5D31E36 (1)
Weight, g/mol:	419.078517
ΔH_f, kcal/mol:	-82.31
Dipole, Da:	9.64
IP(EA), eV:	-8.29(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-1-oxo-2-(pyrazine-2-carbonylamino)isoquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NCCCN3CCN(CC3)C4=CC(=CC=C4)Cl)C5=CN=CC=C5

DOS

IR

Vibrations