Geometry & MOs

Info

ID:	294187
PubChem CID:	117433893
Reduced:	NOC8H10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	-21.71
Dipole, Da:	6.37
IP(EA), eV:	-8.81(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[3-(1-methylpiperidin-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C2=CC(=NO2)N)OC3CCCC3)C

DOS

IR

Vibrations