Geometry & MOs

Info

ID:	258371
PubChem CID:	103153264
Reduced:	N2O4C13H18 (1)
Stoich.:	A2B4C13D18 (1)
Weight, g/mol:	233.126323
ΔH_f, kcal/mol:	-154.88
Dipole, Da:	6.89
IP(EA), eV:	-10.16(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)CCC1=CC=NC=C1

DOS

IR

Vibrations