Geometry & MOs

Info

ID:	437984
PubChem CID:	135227437
Reduced:	F3N3O4H22C24 (1)
Stoich.:	A3B3C4D22E24 (1)
Weight, g/mol:	428.134777
ΔH_f, kcal/mol:	-244.78
Dipole, Da:	6.07
IP(EA), eV:	-9.08(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-methylpyridin-2-yl)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-4H-1,3-benzoxazin-2-one

Drug info:

PubChemData

Smile

CCCOC1=C(C=CC(=C1C)OC(F)(F)F)C2=CC3=C(C=C2)OC(=O)N(C3)CC4=NC=CC=N4

DOS

IR

Vibrations