Geometry & MOs

Info

ID:	292321
PubChem CID:	114916668
Reduced:	NO3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	280.072703
ΔH_f, kcal/mol:	-130.8
Dipole, Da:	2.91
IP(EA), eV:	-9.59(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-(3,5-diethyl-1,2,4-triazol-1-yl)pyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)NC(CCC2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations