Geometry & MOs

Info

ID:	28265
PubChem CID:	826645
Reduced:	NSC19H21 (1)
Stoich.:	ABC19D21 (1)
Weight, g/mol:	330.095748
ΔH_f, kcal/mol:	42.4
Dipole, Da:	2.92
IP(EA), eV:	-7.91(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5S)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine

Drug info:

PubChemData

Smile

C1CCN(CC1)[C@@H]2CC3=CC=CC=C3SC4=CC=CC=C24

DOS

IR

Vibrations