Geometry & MOs

Info

ID:	226458
PubChem CID:	87457415
Reduced:	O5C25H26 (1)
Stoich.:	A5B25C26 (1)
Weight, g/mol:	437.21147
ΔH_f, kcal/mol:	-148.01
Dipole, Da:	1.89
IP(EA), eV:	-9.42(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S)-8-fluoro-3-[3-(3-methoxyazetidin-1-yl)propyl]-3-phenyl-3a,4-dihydropyrazolo[5,1-c][1,4]benzoxazin-2-yl]acetaldehyde

Drug info:

PubChemData

Smile

CO[C@@]1([C@@H](C[C@H](O1)COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O)O

DOS

IR

Vibrations