Geometry & MOs

Info

ID:	356490
PubChem CID:	127291637
Reduced:	ON5C20H25 (1)
Stoich.:	AB5C20D25 (1)
Weight, g/mol:	358.211724
ΔH_f, kcal/mol:	37.15
Dipole, Da:	6.7
IP(EA), eV:	-9.6(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C2=CC=CC=C2C1)NC(=O)CN3CCN4C(=NN=C4C5CC5)C3

DOS

IR

Vibrations