Geometry & MOs

Info

ID:	227306
PubChem CID:	87561163
Reduced:	F2O3N4H20C25 (1)
Stoich.:	A2B3C4D20E25 (1)
Weight, g/mol:	304.026662
ΔH_f, kcal/mol:	-85.3
Dipole, Da:	3.64
IP(EA), eV:	-8.46(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-1-(trifluoromethyl)pyrene

Drug info:

PubChemData

Smile

CN1C=CC2=C1C=CC(=C2)N3/C(=C\4/C=C(C(=CC4=O)O)CCC5=C(C(=CC=C5)F)F)/NNC3=O

DOS

IR

Vibrations