Geometry & MOs

Info

ID:	28360
PubChem CID:	827201
Reduced:	N2C15H22 (1)
Stoich.:	A2B15C22 (1)
Weight, g/mol:	328.140948
ΔH_f, kcal/mol:	10.96
Dipole, Da:	2.08
IP(EA), eV:	-8.07(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)C2=CC=C(C=C2)N3CCNCC3

DOS

IR

Vibrations