Geometry & MOs

Info

ID:	279754
PubChem CID:	103845008
Reduced:	BrON3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	285.043567
ΔH_f, kcal/mol:	31.3
Dipole, Da:	2.85
IP(EA), eV:	-9.35(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CNCCC2=NC(=NO2)C)Br

DOS

IR

Vibrations