Geometry & MOs

Info

ID:	189019
PubChem CID:	77804023
Reduced:	F2N3O3H19C24 (1)
Stoich.:	A2B3C3D19E24 (1)
Weight, g/mol:	439.114376
ΔH_f, kcal/mol:	-144.13
Dipole, Da:	3.74
IP(EA), eV:	-9.23(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-fluoro-N-[(3-fluorophenyl)-hydroxymethyl]-2-(6-fluoropyridin-3-yl)-3-methyl-1-oxoisoquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=N1)N2C(=C(C3=C(C2=O)C(=CC=C3)F)C(=O)NC(C4=CC(=CC=C4)F)O)C

DOS

IR

Vibrations