Geometry & MOs

Info

ID:	12022
PubChem CID:	126103
Reduced:	OSN2C10H16 (1)
Stoich.:	ABC2D10E16 (1)
Weight, g/mol:	212.098334
ΔH_f, kcal/mol:	-13.17
Dipole, Da:	3.07
IP(EA), eV:	-9.09(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-aminoethylamino)-1-thiophen-2-ylbutan-1-one

Drug info:

PubChemData

Smile

C1=CSC(=C1)C(=O)CCCNCCN

DOS

IR

Vibrations