Geometry & MOs

Info

ID:	282574
PubChem CID:	103931466
Reduced:	O2N3C13H19 (1)
Stoich.:	A2B3C13D19 (1)
Weight, g/mol:	256.132411
ΔH_f, kcal/mol:	-12.51
Dipole, Da:	2.31
IP(EA), eV:	-9.17(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]ethyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CCNC(C)CCC2=CC=CO2

DOS

IR

Vibrations