Geometry & MOs

Info

ID:	406958
PubChem CID:	135079016
Reduced:	NO4C17H17 (1)
Stoich.:	AB4C17D17 (1)
Weight, g/mol:	253.073893
ΔH_f, kcal/mol:	-89.13
Dipole, Da:	3.73
IP(EA), eV:	-8.58(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-1,4-benzoxazin-2-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N=C(C2=CC=CC=C2OC)C(=O)OC

DOS

IR

Vibrations