Geometry & MOs

Info

ID:	319389
PubChem CID:	126655846
Reduced:	ClFNO2H19C24 (1)
Stoich.:	ABCD2E19F24 (1)
Weight, g/mol:	431.188529
ΔH_f, kcal/mol:	-52.63
Dipole, Da:	3.75
IP(EA), eV:	-9.22(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2-methylphenyl)-3-phenyl-6-(2,4,6-trimethylphenyl)-1,4-benzoxazin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=C2C(=CC(=C1)C3=C(C=CC=C3Cl)F)N=C(C(=O)O2)C4=CC=CC=C4

DOS

IR

Vibrations