Geometry & MOs

Info

ID:	282342
PubChem CID:	103922838
Reduced:	SN3O3C13H17 (1)
Stoich.:	AB3C3D13E17 (1)
Weight, g/mol:	328.99305
ΔH_f, kcal/mol:	-49.72
Dipole, Da:	3.18
IP(EA), eV:	-9.34(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromo-4-chlorophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCNCC2=CC=C(S2)CC(=O)OC

DOS

IR

Vibrations