Geometry & MOs

Info

ID:	261970
PubChem CID:	103263200
Reduced:	O3N4C13H18 (1)
Stoich.:	A3B4C13D18 (1)
Weight, g/mol:	231.158292
ΔH_f, kcal/mol:	-92.41
Dipole, Da:	1.24
IP(EA), eV:	-9.33(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[[3-(diethylamino)-3-oxopropyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)CCNCC2=NC=NC=C2C(=O)O

DOS

IR

Vibrations