Geometry & MOs

Info

ID:	270159
PubChem CID:	103630897
Reduced:	ClN3O3C16H22 (1)
Stoich.:	AB3C3D16E22 (1)
Weight, g/mol:	306.140199
ΔH_f, kcal/mol:	-143.09
Dipole, Da:	8.44
IP(EA), eV:	-9.06(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-N-[3-(2-methylpropoxy)propyl]-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=C(C=C(C=C2)N)Cl

DOS

IR

Vibrations