Geometry & MOs

Info

ID:	275456
PubChem CID:	103816119
Reduced:	BrSN2O3C14H15 (1)
Stoich.:	ABC2D3E14F15 (1)
Weight, g/mol:	214.085461
ΔH_f, kcal/mol:	-82.68
Dipole, Da:	7.86
IP(EA), eV:	-8.97(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]benzonitrile

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)S(=O)(=O)NC2=C(N=CC=C2)Br)C

DOS

IR

Vibrations