Geometry & MOs

Info

ID:	446479
PubChem CID:	135275284
Reduced:	F2N2O3H32C33 (1)
Stoich.:	A2B2C3D32E33 (1)
Weight, g/mol:	259.100857
ΔH_f, kcal/mol:	-91.24
Dipole, Da:	4.29
IP(EA), eV:	-8.19(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-7-fluoro-3-(4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine

Drug info:

PubChemData

Smile

CCCN1CC(C1)OC2=C(C=C(C=C2)N3[C@@H](COC4=C3C=CC(=C4)OCC5=CC=CC=C5)C6=CC=C(C=C6)F)F

DOS

IR

Vibrations