Geometry & MOs

Info

ID:	336532
PubChem CID:	127255539
Reduced:	N2O4H36C39 (1)
Stoich.:	A2B4C36D39 (1)
Weight, g/mol:	280.166604
ΔH_f, kcal/mol:	-46.67
Dipole, Da:	7.1
IP(EA), eV:	-9.08(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-6-[[amino(diethylamino)methylidene]amino]hexanoic acid;hydrochloride

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NCCC[C@@H](C(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

DOS

IR

Vibrations