Geometry & MOs

Info

ID:	261996
PubChem CID:	103265119
Reduced:	NO4C9H17 (1)
Stoich.:	AB4C9D17 (1)
Weight, g/mol:	281.14495
ΔH_f, kcal/mol:	-177.01
Dipole, Da:	5.27
IP(EA), eV:	-9.84(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC1(CCOC1)NC(COC)C(=O)O

DOS

IR

Vibrations