Geometry & MOs

Info

ID:	261622
PubChem CID:	103242423
Reduced:	NO2C12H23 (1)
Stoich.:	AB2C12D23 (1)
Weight, g/mol:	291.1293
ΔH_f, kcal/mol:	-109.45
Dipole, Da:	5.64
IP(EA), eV:	-9.42(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-methylpentylamino)methyl]-1-benzothiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC(=CCNCCCC(C)C)C(=O)O

DOS

IR

Vibrations