Geometry & MOs

Info

ID:	12856
PubChem CID:	147082
Reduced:	N3O5C10H19 (1)
Stoich.:	A3B5C10D19 (1)
Weight, g/mol:	261.132471
ΔH_f, kcal/mol:	-234.95
Dipole, Da:	7.2
IP(EA), eV:	-9.74(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2-[[2-(carboxymethylamino)-2-oxoethyl]amino]hexanoic acid

Drug info:

PubChemData

Smile

C(CCN)CC(C(=O)O)NCC(=O)NCC(=O)O

DOS

IR

Vibrations