Geometry & MOs

Info

ID:	160654
PubChem CID:	57389326
Reduced:	N2O4H14C17 (1)
Stoich.:	A2B4C14D17 (1)
Weight, g/mol:	343.096834
ΔH_f, kcal/mol:	-74.14
Dipole, Da:	3.06
IP(EA), eV:	-9.72(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)C2C3=CC=CC=C3C(=O)N(C2=O)O

DOS

IR

Vibrations