Geometry & MOs

Info

ID:	88920
PubChem CID:	49957760
Reduced:	ClN2O3H13C16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	356.09277
ΔH_f, kcal/mol:	-9.11
Dipole, Da:	4.58
IP(EA), eV:	-8.99(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OCC2=NN=C(O2)/C=C/C3=CC=CO3)Cl

DOS

IR

Vibrations