Geometry & MOs

Info

ID:	25719
PubChem CID:	629682
Reduced:	NO2H8C9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	323.951163
ΔH_f, kcal/mol:	-77.37
Dipole, Da:	5.68
IP(EA), eV:	-8.93(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,6-trichlorophenanthrene-9-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=C2C=CC3=CC=CC=C3N2C1=O)C(=NO)C

DOS

IR

Vibrations