Geometry & MOs

Info

ID:	258251
PubChem CID:	103152268
Reduced:	ON2C10H22 (1)
Stoich.:	AB2C10D22 (1)
Weight, g/mol:	217.131408
ΔH_f, kcal/mol:	-64.95
Dipole, Da:	3.69
IP(EA), eV:	-8.87(2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(C1)CCC(CN)OC

DOS

IR

Vibrations