Geometry & MOs

Info

ID:	446474
PubChem CID:	135275247
Reduced:	BrFNO5C27H29 (1)
Stoich.:	ABCD5E27F29 (1)
Weight, g/mol:	555.253335
ΔH_f, kcal/mol:	-208.93
Dipole, Da:	4.39
IP(EA), eV:	-8.79(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[4-(fluoromethoxy)phenyl]-7-phenylmethoxy-4-[5-(1-propylazetidin-3-yl)oxypyridin-3-yl]-2,3-dihydro-1,4-benzoxazine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](COC1=C(C=CC(=C1)OCC2=CC=CC=C2)Br)C3=CC=C(C=C3)OCF

DOS

IR

Vibrations