Geometry & MOs

Info

ID:	269260
PubChem CID:	103616625
Reduced:	ON4C9H14 (1)
Stoich.:	AB4C9D14 (1)
Weight, g/mol:	265.073038
ΔH_f, kcal/mol:	2.64
Dipole, Da:	4.86
IP(EA), eV:	-9.94(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C=NN=C1CNC(=O)/C=C/C

DOS

IR

Vibrations