Geometry & MOs

Info

ID:	171286
PubChem CID:	75353744
Reduced:	BrN2O2H17C22 (1)
Stoich.:	AB2C2D17E22 (1)
Weight, g/mol:	375.98811
ΔH_f, kcal/mol:	53.76
Dipole, Da:	4.36
IP(EA), eV:	-9.08(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)OCC2=NN=C(O2)C=CC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations