Geometry & MOs

Info

ID:	281332
PubChem CID:	103913717
Reduced:	ON3C13H13 (1)
Stoich.:	AB3C13D13 (1)
Weight, g/mol:	241.121512
ΔH_f, kcal/mol:	72.65
Dipole, Da:	5.06
IP(EA), eV:	-9.78(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]benzonitrile

Drug info:

PubChemData

Smile

CC(C1=CC=CC(=C1)C#N)NCC2=CC=NO2

DOS

IR

Vibrations