Geometry & MOs

Info

ID:	89194
PubChem CID:	49959858
Reduced:	ClN2O2C21H21 (1)
Stoich.:	AB2C2D21E21 (1)
Weight, g/mol:	322.03169
ΔH_f, kcal/mol:	5.23
Dipole, Da:	3.59
IP(EA), eV:	-8.91(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromo-2,6-dimethylphenoxy)methyl]-5-cyclopropyl-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C)C)OCC2=NN=C(O2)/C=C/C3=CC=CC=C3Cl

DOS

IR

Vibrations