Geometry & MOs

Info

ID:	328743
PubChem CID:	126727177
Reduced:	NH11C12 (1)
Stoich.:	AB11C12 (1)
Weight, g/mol:	236.104859
ΔH_f, kcal/mol:	125.83
Dipole, Da:	0.86
IP(EA), eV:	-8.55(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dimethylbenzoyl)oxybutanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC2C3C2=CC=C3

DOS

IR

Vibrations