Geometry & MOs

Info

ID:	355592
PubChem CID:	127289350
Reduced:	OSN8C15H18 (1)
Stoich.:	ABC8D15E18 (1)
Weight, g/mol:	339.180758
ΔH_f, kcal/mol:	88.03
Dipole, Da:	6.52
IP(EA), eV:	-9.06(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)C3=CSC(=N3)C4=NC=NN4

DOS

IR

Vibrations