Geometry & MOs

Info

ID:	262061
PubChem CID:	103267772
Reduced:	NO4C14H21 (1)
Stoich.:	AB4C14D21 (1)
Weight, g/mol:	297.139865
ΔH_f, kcal/mol:	-164.78
Dipole, Da:	5.96
IP(EA), eV:	-9.46(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(4-methylsulfinylbutan-2-ylamino)methyl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)(CCO)NCCOC1=CC=CC(=C1)C(=O)O

DOS

IR

Vibrations