Geometry & MOs

Info

ID:	89227
PubChem CID:	49960060
Reduced:	NOH10C11 (2)
Stoich.:	ABC10D11 (2)
Weight, g/mol:	408.04734
ΔH_f, kcal/mol:	22.56
Dipole, Da:	4.54
IP(EA), eV:	-8.76(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations