Geometry & MOs

Info

ID:	258339
PubChem CID:	103153046
Reduced:	NO5C9H17 (1)
Stoich.:	AB5C9D17 (1)
Weight, g/mol:	217.131408
ΔH_f, kcal/mol:	-232.81
Dipole, Da:	3.78
IP(EA), eV:	-10.14(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-(2-methylbutanoylamino)butanoic acid

Drug info:

PubChemData

Smile

CC(C(=O)NCC(CC(=O)O)OC)OC

DOS

IR

Vibrations