Geometry & MOs

Info

ID:	21092
PubChem CID:	587170
Reduced:	ClNO3H10C15 (1)
Stoich.:	ABC3D10E15 (1)
Weight, g/mol:	287.034921
ΔH_f, kcal/mol:	-63.37
Dipole, Da:	2.8
IP(EA), eV:	-9.17(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorobenzoyl)-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

C1C(=O)N(C2=CC=CC=C2O1)C(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations