Geometry & MOs

Info

ID:	20570
PubChem CID:	584640
Reduced:	N2F3O3H15C20 (1)
Stoich.:	A2B3C3D15E20 (1)
Weight, g/mol:	388.103477
ΔH_f, kcal/mol:	-175.42
Dipole, Da:	6.37
IP(EA), eV:	-8.9(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzodioxol-5-ylmethyl)-9-(trifluoromethyl)-2,4-dihydropyrido[3,2-h][1,3]benzoxazine

Drug info:

PubChemData

Smile

C1C2=C(C3=C(C=C2)C=CC(=N3)C(F)(F)F)OCN1CC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations