Geometry & MOs

Info

ID:	213092
PubChem CID:	81062828
Reduced:	N2O6C13H16 (1)
Stoich.:	A2B6C13D16 (1)
Weight, g/mol:	239.126991
ΔH_f, kcal/mol:	-162.86
Dipole, Da:	7.61
IP(EA), eV:	-10.12(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-imidazol-1-ylpropanoylamino)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)COC1=CC=CC=C1[N+](=O)[O-]

DOS

IR

Vibrations