Geometry & MOs

Info

ID:	321165
PubChem CID:	126665077
Reduced:	NO2C7H15 (1)
Stoich.:	AB2C7D15 (1)
Weight, g/mol:	158.075194
ΔH_f, kcal/mol:	-109.45
Dipole, Da:	2.61
IP(EA), eV:	-9.14(1.63)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[3-(aminomethyl)imidazol-3-ium-1-yl]ethanethiol

Drug info:

PubChemData

Smile

CC(C)C1(CNCCO1)O

DOS

IR

Vibrations