Geometry & MOs

Info

ID:	142810
PubChem CID:	53095286
Reduced:	ClON5H14C17 (1)
Stoich.:	ABC5D14E17 (1)
Weight, g/mol:	330.122909
ΔH_f, kcal/mol:	111.87
Dipole, Da:	2.25
IP(EA), eV:	-9.34(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(1-propylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]benzonitrile

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C=C2)C3=NOC(=N3)C4=CC(=CC=C4)Cl)N=N1

DOS

IR

Vibrations