Geometry & MOs

Info

ID:	358840
PubChem CID:	127296711
Reduced:	ON3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	330.216809
ΔH_f, kcal/mol:	-18.27
Dipole, Da:	2.72
IP(EA), eV:	-8.88(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-ethylpiperazin-1-yl)propyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=N1)C(=O)N2CCCN(CC2)C

DOS

IR

Vibrations