Geometry & MOs

Info

ID:	56780
PubChem CID:	22389668
Reduced:	BrNOC2H2 (2)
Stoich.:	ABCD2E2 (2)
Weight, g/mol:	328.157563
ΔH_f, kcal/mol:	-78.98
Dipole, Da:	2.77
IP(EA), eV:	-10.65(-2.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-tert-butylphenyl)-5-naphthalen-1-yl-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1C(=O)N(C(=O)N1Br)Br

DOS

IR

Vibrations