Geometry & MOs

Info

ID:	209804
PubChem CID:	80725044
Reduced:	ON3C17H29 (1)
Stoich.:	AB3C17D29 (1)
Weight, g/mol:	305.072179
ΔH_f, kcal/mol:	-50.59
Dipole, Da:	2.07
IP(EA), eV:	-8.04(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-acetamidophenoxy)methyl]-5-methylthiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCOC1=CC(=CC(=C1)N2CCN(CC2)C(C)(C)C)N

DOS

IR

Vibrations