Geometry & MOs

Info

ID:	371396
PubChem CID:	127346244
Reduced:	ON2C7H10 (2)
Stoich.:	AB2C7D10 (2)
Weight, g/mol:	330.180424
ΔH_f, kcal/mol:	-45.61
Dipole, Da:	4.71
IP(EA), eV:	-9.02(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-(oxolan-3-yl)ethanone

Drug info:

PubChemData

Smile

C1COCC1CC(=O)N2CCN(CC2)C3=NC=CN=C3

DOS

IR

Vibrations