Geometry & MOs

Info

ID:	55359
PubChem CID:	17395287
Reduced:	ClN2O2H17C19 (1)
Stoich.:	AB2C2D17E19 (1)
Weight, g/mol:	277.085127
ΔH_f, kcal/mol:	-19.42
Dipole, Da:	7.18
IP(EA), eV:	-8.82(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=O)N=C(N2)/C(=C/C3=CC(=C(C=C3)OC)C)/Cl

DOS

IR

Vibrations