Geometry & MOs

Info

ID:	66451
PubChem CID:	46504595
Reduced:	N5O5H19C23 (1)
Stoich.:	A5B5C19D23 (1)
Weight, g/mol:	449.089082
ΔH_f, kcal/mol:	-59.94
Dipole, Da:	3.88
IP(EA), eV:	-8.04(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-methoxyphenyl)-1-oxo-2-(pyrazine-2-carbonylamino)isoquinoline-4-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)C2=CN(C(=O)C3=CC=CC=C32)NC(=O)C4=NC=CN=C4)OC

DOS

IR

Vibrations