Geometry & MOs

Info

ID:	356507
PubChem CID:	127291654
Reduced:	ON6C19H22 (1)
Stoich.:	AB6C19D22 (1)
Weight, g/mol:	304.164774
ΔH_f, kcal/mol:	83.61
Dipole, Da:	6.99
IP(EA), eV:	-9.06(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetyl]piperazin-2-one

Drug info:

PubChemData

Smile

C1CC1C2=NN=C3N2CCN(C3)CC(=O)N4CCC(=N4)C5=CC=CC=C5

DOS

IR

Vibrations