Geometry & MOs

Info

ID:	262001
PubChem CID:	103265675
Reduced:	NO3C11H19 (1)
Stoich.:	AB3C11D19 (1)
Weight, g/mol:	303.1293
ΔH_f, kcal/mol:	-132.34
Dipole, Da:	4.72
IP(EA), eV:	-9.33(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(2-methyl-4-phenylbutan-2-yl)amino]methyl]thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(CC=C)NCC1CCC(O1)C(=O)O

DOS

IR

Vibrations