Geometry & MOs

Info

ID:	258788
PubChem CID:	103157015
Reduced:	N2O5C12H22 (1)
Stoich.:	A2B5C12D22 (1)
Weight, g/mol:	228.111007
ΔH_f, kcal/mol:	-232.05
Dipole, Da:	8.05
IP(EA), eV:	-10.01(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-aminopent-4-ynoylamino)-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)C1(CCOCC1)CN

DOS

IR

Vibrations