Geometry & MOs

Info

ID:	172324
PubChem CID:	75497045
Reduced:	ON7C14H17 (1)
Stoich.:	AB7C14D17 (1)
Weight, g/mol:	331.175673
ΔH_f, kcal/mol:	109.15
Dipole, Da:	5.85
IP(EA), eV:	-8.84(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-morpholin-4-yl-1-[4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CN2CCN(CC2)C3=CN=CC4=NC=NN34

DOS

IR

Vibrations