Geometry & MOs

Info

ID:	258824
PubChem CID:	103157152
Reduced:	N2O4C13H22 (1)
Stoich.:	A2B4C13D22 (1)
Weight, g/mol:	244.08077
ΔH_f, kcal/mol:	-179.21
Dipole, Da:	8.29
IP(EA), eV:	-9.29(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)C1CC12CCNCC2

DOS

IR

Vibrations