Geometry & MOs

Info

ID:	281342
PubChem CID:	103913732
Reduced:	OSN3C16H19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	272.127326
ΔH_f, kcal/mol:	35.69
Dipole, Da:	4.95
IP(EA), eV:	-9.0(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl]phenoxy]acetonitrile

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CCNC(C)C2=CC=C(C=C2)OCC#N

DOS

IR

Vibrations