Geometry & MOs

Info

ID:	171289
PubChem CID:	75353750
Reduced:	FON2H19C20 (1)
Stoich.:	ABC2D19E20 (1)
Weight, g/mol:	403.99272
ΔH_f, kcal/mol:	2.95
Dipole, Da:	4.25
IP(EA), eV:	-9.1(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)C=CC3=CC=C(C=C3)F

DOS

IR

Vibrations