Geometry & MOs

Info

ID:	180
PubChem CID:	2244
Reduced:	O4H8C9 (1)
Stoich.:	A4B8C9 (1)
Weight, g/mol:	180.042259
ΔH_f, kcal/mol:	-149.4
Dipole, Da:	2.04
IP(EA), eV:	-9.78(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetyloxybenzoic acid

Drug info:

PubChemData

Smile

CC(=O)OC1=CC=CC=C1C(=O)O

DOS

IR

Vibrations