Geometry & MOs

Info

ID:	203130
PubChem CID:	79782957
Reduced:	BrOCl2N4H7C13 (1)
Stoich.:	ABC2D4E7F13 (1)
Weight, g/mol:	262.142976
ΔH_f, kcal/mol:	76.51
Dipole, Da:	5.08
IP(EA), eV:	-8.92(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]pyridin-2-yl]methyl]propan-2-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)C2=NC(=NO2)C3=C(C=C(C=N3)Cl)Cl)N

DOS

IR

Vibrations