Geometry & MOs

Info

ID:	198395
PubChem CID:	79094754
Reduced:	FN2O2H15C16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	347.03817
ΔH_f, kcal/mol:	-45.1
Dipole, Da:	8.02
IP(EA), eV:	-8.88(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazine-2-carbonitrile

Drug info:

PubChemData

Smile

CCC1=CC=C(O1)C(=O)NC2=CC(=C(C=C2)C#CCN)F

DOS

IR

Vibrations