Geometry & MOs

Info

ID:	65377
PubChem CID:	29214818
Reduced:	FNO3C24H24 (1)
Stoich.:	ABC3D24E24 (1)
Weight, g/mol:	393.174022
ΔH_f, kcal/mol:	-91.09
Dipole, Da:	2.73
IP(EA), eV:	-9.03(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[[(2S)-2-(2-fluorophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]phenoxy]ethanol

Drug info:

PubChemData

Smile

C1[C@H](OC2=CC=CC=C2CN1CC3=CC(=CC=C3)OCCO)C4=CC=CC=C4F

DOS

IR

Vibrations