Geometry & MOs

Info

ID:	345448
PubChem CID:	127269748
Reduced:	N3O4C16H21 (1)
Stoich.:	A3B4C16D21 (1)
Weight, g/mol:	338.160357
ΔH_f, kcal/mol:	-150.86
Dipole, Da:	4.69
IP(EA), eV:	-8.75(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-pyridazin-3-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=C1)OCCO2)NC(=O)NC3CCCNC3=O

DOS

IR

Vibrations