Geometry & MOs

Info

ID:	176747
PubChem CID:	76092271
Reduced:	N3O7C11H17 (1)
Stoich.:	A3B7C11D17 (1)
Weight, g/mol:	288.158626
ΔH_f, kcal/mol:	-306.52
Dipole, Da:	1.66
IP(EA), eV:	-10.16(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-amino-3-phenylpropyl)amino]-3-(1H-imidazol-5-yl)propanoic acid

Drug info:

PubChemData

Smile

COCC1C(C(C(O1)N2CC(C(=O)NC2=O)C(=O)N)O)O

DOS

IR

Vibrations