Geometry & MOs

Info

ID:	283648
PubChem CID:	103995564
Reduced:	N2O3C16H30 (1)
Stoich.:	A2B3C16D30 (1)
Weight, g/mol:	287.184506
ΔH_f, kcal/mol:	-185.85
Dipole, Da:	7.53
IP(EA), eV:	-9.57(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-(2-ethylhexylcarbamoylamino)-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCCCC(CC)CNC(=O)N1CCCC1(CC)C(=O)O

DOS

IR

Vibrations