Geometry & MOs

Info

ID:	89045
PubChem CID:	49958918
Reduced:	N2O4H18C21 (1)
Stoich.:	A2B4C18D21 (1)
Weight, g/mol:	424.04226
ΔH_f, kcal/mol:	-23.62
Dipole, Da:	3.14
IP(EA), eV:	-8.56(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-bromonaphthalen-2-yl)oxymethyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

COC1=CC=CC=C1OCC2=NN=C(O2)COC3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations