Geometry & MOs

Info

ID:	29676
PubChem CID:	836366
Reduced:	ClNOC16H16 (1)
Stoich.:	ABCD16E16 (1)
Weight, g/mol:	208.073559
ΔH_f, kcal/mol:	-20.23
Dipole, Da:	5.29
IP(EA), eV:	-9.14(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methylpropanoyloxy)benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCCC(=O)NC2=CC(=CC=C2)Cl

DOS

IR

Vibrations