Geometry & MOs

Info

ID:	371395
PubChem CID:	127346243
Reduced:	N3O3C16H21 (1)
Stoich.:	A3B3C16D21 (1)
Weight, g/mol:	276.158626
ΔH_f, kcal/mol:	-96.77
Dipole, Da:	8.75
IP(EA), eV:	-9.35(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(oxolan-3-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

C1COCC1CC(=O)N2CCN(CC2)C(=O)C3=CC=CC=N3

DOS

IR

Vibrations