Geometry & MOs

Info

ID:	357615
PubChem CID:	127294288
Reduced:	ON2C8H14 (2)
Stoich.:	AB2C8D14 (2)
Weight, g/mol:	342.216809
ΔH_f, kcal/mol:	-98.89
Dipole, Da:	8.55
IP(EA), eV:	-8.84(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCCCC1CN2CCN(CC2)C(=O)[C@H]3CCC(=O)N3

DOS

IR

Vibrations