Geometry & MOs

Info

ID:	280678
PubChem CID:	103850693
Reduced:	NCl2O3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	242.106671
ΔH_f, kcal/mol:	-117.23
Dipole, Da:	1.52
IP(EA), eV:	-9.78(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

COCC(CCO)NC(=O)/C=C/C1=C(C(=CC=C1)Cl)Cl

DOS

IR

Vibrations