Geometry & MOs

Info

ID:	208529
PubChem CID:	80540644
Reduced:	N2O3C14H20 (1)
Stoich.:	A2B3C14D20 (1)
Weight, g/mol:	257.173942
ΔH_f, kcal/mol:	-130.51
Dipole, Da:	4.54
IP(EA), eV:	-9.54(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(cyclopropylamino)propylcarbamoylamino]-2-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CNC(=O)NCCC(C)C(=O)O

DOS

IR

Vibrations