Geometry & MOs

Info

ID:	303862
PubChem CID:	124490314
Reduced:	O3N4C23H26 (1)
Stoich.:	A3B4C23D26 (1)
Weight, g/mol:	251.115758
ΔH_f, kcal/mol:	-18.35
Dipole, Da:	1.99
IP(EA), eV:	-9.63(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-[2-(2-carboxyethyl)-5-methylphenyl]propanoic acid

Drug info:

PubChemData

Smile

COC[C@H]1CCCCN1C(=O)N2N=CC(=N2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O

DOS

IR

Vibrations