Geometry & MOs

Info

ID:	263907
PubChem CID:	103406649
Reduced:	NO3C12H25 (1)
Stoich.:	AB3C12D25 (1)
Weight, g/mol:	247.079763
ΔH_f, kcal/mol:	-138.45
Dipole, Da:	3.24
IP(EA), eV:	-9.25(2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-chloro-4-methylthiophen-2-yl)-2-methoxyethyl]propan-1-amine

Drug info:

PubChemData

Smile

COCCOCCCOC1(CCC1)CCN

DOS

IR

Vibrations