Geometry & MOs

Info

ID:	227834
PubChem CID:	87562639
Reduced:	OC7H14 (2)
Stoich.:	AB7C14 (2)
Weight, g/mol:	280.029107
ΔH_f, kcal/mol:	-156.13
Dipole, Da:	1.9
IP(EA), eV:	-10.71(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloropyrene-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCCC(CC)OC(=O)CC

DOS

IR

Vibrations