Geometry & MOs

Info

ID:	54964
PubChem CID:	17389598
Reduced:	Cl2N2O2C13H22 (1)
Stoich.:	A2B2C2D13E22 (1)
Weight, g/mol:	236.152478
ΔH_f, kcal/mol:	-148.3
Dipole, Da:	4.98
IP(EA), eV:	-9.54(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,7-diamino-2-phenylheptanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CCCCCN)(C(=O)O)N.Cl.Cl

DOS

IR

Vibrations