Geometry & MOs

Info

ID:	171290
PubChem CID:	75353751
Reduced:	BrClN2O2H14C18 (1)
Stoich.:	ABC2D2E14F18 (1)
Weight, g/mol:	400.04226
ΔH_f, kcal/mol:	27.96
Dipole, Da:	4.62
IP(EA), eV:	-9.1(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)OCC2=NN=C(O2)C=CC3=CC=CC=C3Cl

DOS

IR

Vibrations