Geometry & MOs

Info

ID:	281331
PubChem CID:	103913716
Reduced:	ON2C15H20 (1)
Stoich.:	AB2C15D20 (1)
Weight, g/mol:	227.105862
ΔH_f, kcal/mol:	19.92
Dipole, Da:	5.62
IP(EA), eV:	-9.25(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(1,2-oxazol-5-ylmethylamino)ethyl]benzonitrile

Drug info:

PubChemData

Smile

CC(C1=CC=CC(=C1)C#N)NCCOCC2CC2

DOS

IR

Vibrations