Geometry & MOs

Info

ID:	364395
PubChem CID:	127315572
Reduced:	N3O3C20H35 (1)
Stoich.:	A3B3C20D35 (1)
Weight, g/mol:	316.201159
ΔH_f, kcal/mol:	-159.57
Dipole, Da:	1.23
IP(EA), eV:	-9.04(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCC1OCC(=O)N2CCCN(CC2)CC(=O)N3CCCC3

DOS

IR

Vibrations