Geometry & MOs

Info

ID:	292333
PubChem CID:	114916980
Reduced:	ClNF3O3H7C9 (1)
Stoich.:	ABC3D3E7F9 (1)
Weight, g/mol:	298.007596
ΔH_f, kcal/mol:	-265.62
Dipole, Da:	2.54
IP(EA), eV:	-9.99(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dichloro-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1=C(C(=CN=C1OCCC(F)(F)F)Cl)C(=O)O

DOS

IR

Vibrations