Geometry & MOs

Info

ID:	321159
PubChem CID:	126665070
Reduced:	OC8H13 (2)
Stoich.:	AB8C13 (2)
Weight, g/mol:	276.02958
ΔH_f, kcal/mol:	-119.03
Dipole, Da:	2.16
IP(EA), eV:	-9.81(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3-aminopropyl)pyridin-1-ium-1-yl]ethanethiol;bromide

Drug info:

PubChemData

Smile

CC(=O)C1(CCCC1=O)C2(CCCCC2(C)C)C

DOS

IR

Vibrations