Geometry & MOs

Info

ID:	141096
PubChem CID:	52817430
Reduced:	NO4C18H27 (1)
Stoich.:	AB4C18D27 (1)
Weight, g/mol:	351.180758
ΔH_f, kcal/mol:	-182.41
Dipole, Da:	5.1
IP(EA), eV:	-9.14(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(diethylamino)-N-[1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCCOC1=CC=C(C=C1)C(=O)N[C@](C)(CC)C(=O)OC

DOS

IR

Vibrations