Geometry & MOs

Info

ID:	258357
PubChem CID:	103153169
Reduced:	N2O5C12H16 (1)
Stoich.:	A2B5C12D16 (1)
Weight, g/mol:	257.162708
ΔH_f, kcal/mol:	-182.2
Dipole, Da:	4.9
IP(EA), eV:	-9.53(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

COC1=C(C=CN=C1)C(=O)NCC(CC(=O)O)OC

DOS

IR

Vibrations