Geometry & MOs

Info

ID:	282343
PubChem CID:	103922841
Reduced:	BrClON3C12H13 (1)
Stoich.:	ABCD3E12F13 (1)
Weight, g/mol:	267.077454
ΔH_f, kcal/mol:	33.04
Dipole, Da:	1.94
IP(EA), eV:	-9.61(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]phenol

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCNCC2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations