Geometry & MOs

Info

ID:	5546
PubChem CID:	13309
Reduced:	ClNSC19H24 (1)
Stoich.:	ABCD19E24 (1)
Weight, g/mol:	333.131799
ΔH_f, kcal/mol:	-2.34
Dipole, Da:	6.31
IP(EA), eV:	-8.38(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)propyl-dimethylazanium;chloride

Drug info:

PubChemData

Smile

C[NH+](C)CCCC1C2=CC=CC=C2CSC3=CC=CC=C13.[Cl-]

DOS

IR

Vibrations