Geometry & MOs

Info

ID:	272533
PubChem CID:	103744604
Reduced:	OSN4C10H14 (1)
Stoich.:	ABC4D10E14 (1)
Weight, g/mol:	247.132077
ΔH_f, kcal/mol:	47.39
Dipole, Da:	3.54
IP(EA), eV:	-9.55(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC=C(S1)CNCCC2=NC=NO2

DOS

IR

Vibrations