Geometry & MOs

Info

ID:	261656
PubChem CID:	103244059
Reduced:	NO2C13H25 (1)
Stoich.:	AB2C13D25 (1)
Weight, g/mol:	291.1293
ΔH_f, kcal/mol:	-110.66
Dipole, Da:	0.93
IP(EA), eV:	-8.95(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-methylpentan-2-ylamino)methyl]-1-benzothiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)C(C)NC/C=C(/CC)\C(=O)OC

DOS

IR

Vibrations