Geometry & MOs

Info

ID:	213375
PubChem CID:	81063567
Reduced:	NOSC8H19 (1)
Stoich.:	ABCD8E19 (1)
Weight, g/mol:	205.150036
ΔH_f, kcal/mol:	-56.66
Dipole, Da:	2.89
IP(EA), eV:	-8.81(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[methyl(2-propan-2-yloxyethyl)amino]butane-1-thiol

Drug info:

PubChemData

Smile

CCOCCN(C)CCCS

DOS

IR

Vibrations