Geometry & MOs

Info

ID:	153802
PubChem CID:	56313115
Reduced:	F3N3O3H22C23 (1)
Stoich.:	A3B3C3D22E23 (1)
Weight, g/mol:	449.156241
ΔH_f, kcal/mol:	-226.77
Dipole, Da:	9.92
IP(EA), eV:	-8.8(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1C(CNC(=O)C2=CNC3=CC=CC=C3C2=O)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations