Geometry & MOs

Info

ID:	355600
PubChem CID:	127289358
Reduced:	O3N4C17H28 (1)
Stoich.:	A3B4C17D28 (1)
Weight, g/mol:	325.165108
ΔH_f, kcal/mol:	-106.58
Dipole, Da:	3.68
IP(EA), eV:	-8.85(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)CC2=NC=CN2C)OCC3CCCO3

DOS

IR

Vibrations