Geometry & MOs

Info

ID:	171856
PubChem CID:	75433795
Reduced:	FNO2C12H12 (1)
Stoich.:	ABC2D12E12 (1)
Weight, g/mol:	330.149204
ΔH_f, kcal/mol:	-80.54
Dipole, Da:	5.2
IP(EA), eV:	-8.75(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-fluoro-2-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1CC1/C=C/C(=O)NC2=C(C=CC(=C2)F)O

DOS

IR

Vibrations