Geometry & MOs

Info

ID:	286681
PubChem CID:	104179692
Reduced:	NOS2C12H21 (1)
Stoich.:	ABC2D12E21 (1)
Weight, g/mol:	257.127192
ΔH_f, kcal/mol:	-38.91
Dipole, Da:	3.98
IP(EA), eV:	-8.64(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethylsulfanylpropyl)-1-(5-methylthiophen-2-yl)propan-2-amine

Drug info:

PubChemData

Smile

CCSCCCNCC(C)(C1=CSC=C1)O

DOS

IR

Vibrations