Geometry & MOs

Info

ID:	446484
PubChem CID:	135275317
Reduced:	BrFN3O4C25H31 (1)
Stoich.:	ABC3D4E25F31 (1)
Weight, g/mol:	466.206799
ΔH_f, kcal/mol:	-184.57
Dipole, Da:	5.65
IP(EA), eV:	-8.76(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-7-fluoro-4-[3-fluoro-4-(1-propylazetidin-3-yl)oxyphenyl]-3-(4-methoxyphenyl)-2,3-dihydro-1,4-benzoxazine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(COC1=C(C=CC(=C1C=N)NC2CCCCO2)Br)C3=CC=C(C=C3)F

DOS

IR

Vibrations