Geometry & MOs

Info

ID:	203129
PubChem CID:	79782749
Reduced:	NOC6H9 (2)
Stoich.:	ABC6D9 (2)
Weight, g/mol:	383.91803
ΔH_f, kcal/mol:	-31.49
Dipole, Da:	4.38
IP(EA), eV:	-8.91(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[3-(3,5-dichloropyridin-2-yl)-1,2,4-oxadiazol-5-yl]aniline

Drug info:

PubChemData

Smile

COCCOC1=CN=C(C=C1)CNC2CC2

DOS

IR

Vibrations