Geometry & MOs

Info

ID:	314553
PubChem CID:	126622131
Reduced:	FN3O3C20H20 (1)
Stoich.:	AB3C3D20E20 (1)
Weight, g/mol:	348.11215
ΔH_f, kcal/mol:	-86.09
Dipole, Da:	4.96
IP(EA), eV:	-9.01(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(2S,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C2C=CN=C(C2=C1)OCC3C4(CC4)C(C(=O)N3)F)C#N

DOS

IR

Vibrations