Geometry & MOs

Info

ID:	30848
PubChem CID:	842004
Reduced:	NO6C14H15 (1)
Stoich.:	AB6C14D15 (1)
Weight, g/mol:	279.074287
ΔH_f, kcal/mol:	-233.27
Dipole, Da:	8.48
IP(EA), eV:	-9.14(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(=O)C1=CC2=C(C=C1NC(=O)CCCC(=O)O)OCO2

DOS

IR

Vibrations