Geometry & MOs

Info

ID:	131419
PubChem CID:	51202570
Reduced:	N2S2O3C18H18 (1)
Stoich.:	A2B2C3D18E18 (1)
Weight, g/mol:	345.088019
ΔH_f, kcal/mol:	-27.34
Dipole, Da:	6.88
IP(EA), eV:	-8.86(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C2=NN=C(O2)SCC(=O)C3=C(SC(=C3)C)C

DOS

IR

Vibrations