Geometry & MOs

Info

ID:	213207
PubChem CID:	81063164
Reduced:	N3O3C14H15 (1)
Stoich.:	A3B3C14D15 (1)
Weight, g/mol:	257.162708
ΔH_f, kcal/mol:	-78.2
Dipole, Da:	4.91
IP(EA), eV:	-10.06(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(2,4,5-trimethyloxolane-3-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=NC2=CC=CC=C2N=C1

DOS

IR

Vibrations