Geometry & MOs

Info

ID:	224983
PubChem CID:	85735346
Reduced:	O2H6C9 (2)
Stoich.:	A2B6C9 (2)
Weight, g/mol:	296.152478
ΔH_f, kcal/mol:	-89.58
Dipole, Da:	1.91
IP(EA), eV:	-8.23(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C4=C(C=C3)C(=C(C(=C4O)O)O)O

DOS

IR

Vibrations