Geometry & MOs

Info

ID:	204849
PubChem CID:	80018794
Reduced:	NSC13H25 (1)
Stoich.:	ABC13D25 (1)
Weight, g/mol:	243.111542
ΔH_f, kcal/mol:	-14.44
Dipole, Da:	3.7
IP(EA), eV:	-8.45(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]butane-1-thiol

Drug info:

PubChemData

Smile

CCN(CC1(CC1)CS)C2CCCCC2

DOS

IR

Vibrations