Geometry & MOs

Info

ID:	73642
PubChem CID:	48419584
Reduced:	O2N4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	349.142641
ΔH_f, kcal/mol:	-0.08
Dipole, Da:	4.43
IP(EA), eV:	-8.72(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-acetamido-2-methylphenyl)-1-methoxyisoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1=C(C=CC=N1)CNC(=O)C2=CC3=CC=CC=C3C(=N2)OC

DOS

IR

Vibrations