Geometry & MOs

Info

ID:	28362
PubChem CID:	827203
Reduced:	N2O3C14H16 (1)
Stoich.:	A2B3C14D16 (1)
Weight, g/mol:	328.140948
ΔH_f, kcal/mol:	-104.33
Dipole, Da:	9.4
IP(EA), eV:	-8.74(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6R)-2-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]-4-methylpiperazine

Drug info:

PubChemData

Smile

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)N

DOS

IR

Vibrations