Geometry & MOs

Info

ID:	213897
PubChem CID:	81065528
Reduced:	N2O5C13H16 (1)
Stoich.:	A2B5C13D16 (1)
Weight, g/mol:	269.137556
ΔH_f, kcal/mol:	-127.42
Dipole, Da:	4.29
IP(EA), eV:	-10.38(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations