Geometry & MOs

Info

ID:	205988
PubChem CID:	80186347
Reduced:	FN2O2C13H17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	238.093998
ΔH_f, kcal/mol:	-103.55
Dipole, Da:	6.26
IP(EA), eV:	-8.11(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-fluoro-2,4,4a,5,6,7-hexahydro-1H-[1,4]thiazino[4,3-a][1,5]benzodiazepine

Drug info:

PubChemData

Smile

CC12CNC3=CC(=C(C=C3NC1COC2)OC)F

DOS

IR

Vibrations