Geometry & MOs

Info

ID:	7390
PubChem CID:	72352
Reduced:	N2O2C17H18 (1)
Stoich.:	A2B2C17D18 (1)
Weight, g/mol:	282.136828
ΔH_f, kcal/mol:	-40.45
Dipole, Da:	4.94
IP(EA), eV:	-8.85(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(1,3-benzoxazol-2-yl)ethyl]-5-ethyl-6-methyl-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CCC1=C(NC(=O)C(=C1)CCC2=NC3=CC=CC=C3O2)C

DOS

IR

Vibrations