Geometry & MOs

Info

ID:	373016
PubChem CID:	131308640
Reduced:	ClNOSC11H12 (1)
Stoich.:	ABCDE11F12 (1)
Weight, g/mol:	241.032813
ΔH_f, kcal/mol:	-24.02
Dipole, Da:	3.78
IP(EA), eV:	-8.02(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(chloromethyl)-4-ethoxy-1-benzothiophen-3-amine

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)SC(=C2N)CCl

DOS

IR

Vibrations