Geometry & MOs

Info

ID:	357402
PubChem CID:	127294035
Reduced:	N4O4C19H22 (1)
Stoich.:	A4B4C19D22 (1)
Weight, g/mol:	383.19574
ΔH_f, kcal/mol:	-109.49
Dipole, Da:	2.31
IP(EA), eV:	-8.46(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-(1,2,4-oxadiazol-3-yl)benzoyl]piperazin-1-yl]-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)NC(=O)C2CCN(C2=O)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations