Geometry & MOs

Info

ID:	130168
PubChem CID:	51075129
Reduced:	ON5C17H21 (1)
Stoich.:	AB5C17D21 (1)
Weight, g/mol:	312.101111
ΔH_f, kcal/mol:	71.28
Dipole, Da:	4.35
IP(EA), eV:	-8.82(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(Z)-2-cyano-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]benzonitrile

Drug info:

PubChemData

Smile

CCN1C/C(=C\C2=CN(N=C2)C)/C(=O)/C(=C\C3=CN(N=C3)C)/C1

DOS

IR

Vibrations