Geometry & MOs

Info

ID:	281333
PubChem CID:	103913718
Reduced:	ON3C14H15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	255.137162
ΔH_f, kcal/mol:	36.26
Dipole, Da:	6.88
IP(EA), eV:	-9.59(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=CN=C(O1)CNC(C)C2=CC=CC(=C2)C#N

DOS

IR

Vibrations