Geometry & MOs

Info

ID:	438133
PubChem CID:	135227756
Reduced:	BrN3H22C35 (1)
Stoich.:	AB3C22D35 (1)
Weight, g/mol:	426.01162
ΔH_f, kcal/mol:	188.43
Dipole, Da:	2.03
IP(EA), eV:	-8.9(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzene-1,3-dicarbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C3=NC(=NC(=N3)C4=CC(=CC=C4)Br)C5=CC=C(C=C5)C6=CC=CC7=CC=CC=C76

DOS

IR

Vibrations