Geometry & MOs

Info

ID:	355656
PubChem CID:	127289414
Reduced:	O2N5C16H21 (1)
Stoich.:	A2B5C16D21 (1)
Weight, g/mol:	355.175673
ΔH_f, kcal/mol:	32.4
Dipole, Da:	6.97
IP(EA), eV:	-8.97(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)C3=NOC(=C3)C4CC4

DOS

IR

Vibrations