Geometry & MOs

Info

ID:	46373
PubChem CID:	10524125
Reduced:	PF2O4N5C14H14 (1)
Stoich.:	AB2C4D5E14F14 (1)
Weight, g/mol:	385.116152
ΔH_f, kcal/mol:	-242.1
Dipole, Da:	9.89
IP(EA), eV:	-9.24(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(3,5-dimethoxyphenyl)-4-hydroxy-1,3-dioxoisoquinoline-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(F)(F)P(=O)(O)O)CN2C=NC3=C2NC(=NC3=O)N

DOS

IR

Vibrations