Geometry & MOs

Info

ID:	269355
PubChem CID:	103617124
Reduced:	ClNS2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	279.084849
ΔH_f, kcal/mol:	49.91
Dipole, Da:	1.33
IP(EA), eV:	-9.14(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-chlorothiophen-2-yl)ethyl]-3-phenylpropan-1-amine

Drug info:

PubChemData

Smile

C1=CSC(=C1)CNCCC2=CC=C(S2)Cl

DOS

IR

Vibrations