Geometry & MOs

Info

ID:	160705
PubChem CID:	57389490
Reduced:	ClO2N4C16H17 (1)
Stoich.:	AB2C4D16E17 (1)
Weight, g/mol:	358.0965
ΔH_f, kcal/mol:	-43.29
Dipole, Da:	2.99
IP(EA), eV:	-8.9(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-fluorophenyl)methyl]-2-hydroxy-7-methoxy-1,3-dioxo-4H-isoquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC2=NC(=NC=C2C1)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations