Geometry & MOs

Info

ID:	6066
PubChem CID:	14394
Reduced:	NSCl2C19H23 (1)
Stoich.:	ABC2D19E23 (1)
Weight, g/mol:	367.092826
ΔH_f, kcal/mol:	-12.74
Dipole, Da:	4.92
IP(EA), eV:	-8.68(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloro-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)propyl-dimethylazanium;chloride

Drug info:

PubChemData

Smile

C[NH+](C)CCCC1C2=CC=CC=C2CSC3=C1C=C(C=C3)Cl.[Cl-]

DOS

IR

Vibrations