Geometry & MOs

Info

ID:	323406
PubChem CID:	126674716
Reduced:	ClO2F3N3H15C22 (1)
Stoich.:	AB2C3D3E15F22 (1)
Weight, g/mol:	457.104954
ΔH_f, kcal/mol:	-146.28
Dipole, Da:	5.05
IP(EA), eV:	-8.97(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-cyanophenoxy)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC#N)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

DOS

IR

Vibrations