Geometry & MOs

Info

ID:	159686
PubChem CID:	57288626
Reduced:	O3C16H26 (1)
Stoich.:	A3B16C26 (1)
Weight, g/mol:	336.168522
ΔH_f, kcal/mol:	-174.28
Dipole, Da:	3.77
IP(EA), eV:	-10.12(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1,3-diamino-4-oxo-4-phenylbutoxy)-2,2-dimethyl-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCCCCCCC(=O)[C@H]1[C@@H](CC2C1CC(=O)C2)O

DOS

IR

Vibrations