Geometry & MOs

Info

ID:	73614
PubChem CID:	48419510
Reduced:	Cl2O3N4H16C17 (1)
Stoich.:	A2B3C4D16E17 (1)
Weight, g/mol:	349.142641
ΔH_f, kcal/mol:	-68.98
Dipole, Da:	4.33
IP(EA), eV:	-9.73(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-N-[[3-(methylcarbamoyl)phenyl]methyl]isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1=CC=CC(=C1)CNC(=O)C(=O)NNC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations