Geometry & MOs

Info

ID:	292340
PubChem CID:	114917170
Reduced:	FOCl2N2H11C14 (1)
Stoich.:	ABC2D2E11F14 (1)
Weight, g/mol:	290.001368
ΔH_f, kcal/mol:	-49.2
Dipole, Da:	3.31
IP(EA), eV:	-9.78(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations