Geometry & MOs

Info

ID:	347040
PubChem CID:	127271544
Reduced:	ON6C17H30 (1)
Stoich.:	AB6C17D30 (1)
Weight, g/mol:	302.160357
ΔH_f, kcal/mol:	-14.65
Dipole, Da:	5.94
IP(EA), eV:	-8.94(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-pyridazin-3-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CN2CCCN(CC2)C(=O)NCCN3C=NC=N3

DOS

IR

Vibrations