Geometry & MOs

Info

ID:	446476
PubChem CID:	135275253
Reduced:	FNO2H18C21 (1)
Stoich.:	ABC2D18E21 (1)
Weight, g/mol:	452.191149
ΔH_f, kcal/mol:	-47.44
Dipole, Da:	1.9
IP(EA), eV:	-8.29(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(4-fluorophenyl)-4-[3-fluoro-4-(1-propylazetidin-3-yl)oxyphenyl]-2,3-dihydro-1,4-benzoxazin-7-ol

Drug info:

PubChemData

Smile

C1C(NC2=C(O1)C=C(C=C2)OCC3=CC=CC=C3)C4=CC=C(C=C4)F

DOS

IR

Vibrations