Geometry & MOs

Info

ID:	168736
PubChem CID:	75011985
Reduced:	O9C21H26 (1)
Stoich.:	A9B21C26 (1)
Weight, g/mol:	245.137556
ΔH_f, kcal/mol:	-324.37
Dipole, Da:	8.56
IP(EA), eV:	-10.42(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,6-diaminohexanoylamino)-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(C)C(=O)OC1C2C(C(C3(CCC=C(C1OC(=O)C)C=O)CO3)O)OC(=O)C2=C

DOS

IR

Vibrations