Geometry & MOs

Info

ID:	337880
PubChem CID:	127258503
Reduced:	NO4C16H21 (1)
Stoich.:	AB4C16D21 (1)
Weight, g/mol:	272.100836
ΔH_f, kcal/mol:	-171.4
Dipole, Da:	3.93
IP(EA), eV:	-9.84(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-carboxypropan-2-yl(cyanomethoxy)carbamoyl]butanoic acid

Drug info:

PubChemData

Smile

CCCC(=O)OCC(CNC(=O)C1=CC=CC=C1)C(=O)C

DOS

IR

Vibrations