Geometry & MOs

Info

ID:	292343
PubChem CID:	114917214
Reduced:	FOCl2N2H11C14 (1)
Stoich.:	ABC2D2E11F14 (1)
Weight, g/mol:	260.048318
ΔH_f, kcal/mol:	-41.73
Dipole, Da:	5.23
IP(EA), eV:	-9.92(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dichloro-N-(3-methylbutan-2-yl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=CC(=CC=C1)F)C(=O)C2=CC(=NC=C2Cl)Cl

DOS

IR

Vibrations