Geometry & MOs

Info

ID:	270635
PubChem CID:	103637413
Reduced:	BrNOF2H14C15 (1)
Stoich.:	ABCD2E14F15 (1)
Weight, g/mol:	263.126991
ΔH_f, kcal/mol:	-96.49
Dipole, Da:	3.78
IP(EA), eV:	-9.24(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-2-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]phenol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)CNCCC2=CC(=CC(=C2)F)F)O

DOS

IR

Vibrations