Geometry & MOs

Info

ID:	222504
PubChem CID:	85300945
Reduced:	S2C8H13 (2)
Stoich.:	A2B8C13 (2)
Weight, g/mol:	346.132717
ΔH_f, kcal/mol:	37.27
Dipole, Da:	1.63
IP(EA), eV:	-8.24(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-aminobutyl-[2-amino-3-(1H-indol-1-ium-3-yl)propanoyl]azanium;dichloride

Drug info:

PubChemData

Smile

C1CCCSC#CSCCCCCCSC=CSCC1

DOS

IR

Vibrations