Geometry & MOs

Info

ID:	258311
PubChem CID:	103152831
Reduced:	N2O6C13H16 (1)
Stoich.:	A2B6C13D16 (1)
Weight, g/mol:	246.121572
ΔH_f, kcal/mol:	-169.09
Dipole, Da:	5.16
IP(EA), eV:	-10.32(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-acetamidopropanoylamino)-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NCC(CC(=O)O)OC)[N+](=O)[O-]

DOS

IR

Vibrations