Geometry & MOs

Info

ID:	337843
PubChem CID:	127258466
Reduced:	NO4C11H17 (1)
Stoich.:	AB4C11D17 (1)
Weight, g/mol:	221.105193
ΔH_f, kcal/mol:	-169.9
Dipole, Da:	4.87
IP(EA), eV:	-9.28(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-acetamidophenyl) butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OC/C=C/N1CCOCC1=O

DOS

IR

Vibrations