Geometry & MOs

Info

ID:	89315
PubChem CID:	49960460
Reduced:	ON2C21H22 (1)
Stoich.:	AB2C21D22 (1)
Weight, g/mol:	423.9245
ΔH_f, kcal/mol:	41.19
Dipole, Da:	5.59
IP(EA), eV:	-8.91(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C/C2=NN=C(O2)C3=CC=C(C=C3)C(C)(C)C

DOS

IR

Vibrations