Geometry & MOs

Info

ID:	9554
PubChem CID:	90900
Reduced:	O2C8H11 (2)
Stoich.:	A2B8C11 (2)
Weight, g/mol:	278.151809
ΔH_f, kcal/mol:	-181.04
Dipole, Da:	6.91
IP(EA), eV:	-10.53(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-octan-3-yloxycarbonylbenzoic acid

Drug info:

PubChemData

Smile

CCCCCC(CC)OC(=O)C1=CC=CC=C1C(=O)O

DOS

IR

Vibrations