Geometry & MOs

Info

ID:	89107
PubChem CID:	49959423
Reduced:	Br2N3O4H11C16 (1)
Stoich.:	A2B3C4D11E16 (1)
Weight, g/mol:	389.00112
ΔH_f, kcal/mol:	23.68
Dipole, Da:	2.86
IP(EA), eV:	-9.81(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromo-2-methylphenoxy)methyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])Br)Br

DOS

IR

Vibrations