Geometry & MOs

Info

ID:	128525
PubChem CID:	51048612
Reduced:	FON2H15C19 (1)
Stoich.:	ABC2D15E19 (1)
Weight, g/mol:	417.168856
ΔH_f, kcal/mol:	17.94
Dipole, Da:	3.54
IP(EA), eV:	-9.18(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-N-(6-methoxypyridin-3-yl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/CN2C(=O)C=CC(=N2)C3=CC=CC=C3F

DOS

IR

Vibrations