Geometry & MOs

Info

ID:	88929
PubChem CID:	49957862
Reduced:	BrClN2O3H14C17 (1)
Stoich.:	ABC2D3E14F17 (1)
Weight, g/mol:	356.09277
ΔH_f, kcal/mol:	-26.67
Dipole, Da:	6.04
IP(EA), eV:	-9.04(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chloro-3-methylphenoxy)methyl]-5-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OCC2=NN=C(O2)C3=CC(=C(C=C3)OC)Br)Cl

DOS

IR

Vibrations