Geometry & MOs

Info

ID:	227388
PubChem CID:	87561616
Reduced:	ClOH13C23 (1)
Stoich.:	ABC13D23 (1)
Weight, g/mol:	281.024356
ΔH_f, kcal/mol:	47.89
Dipole, Da:	4.0
IP(EA), eV:	-8.76(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-1-nitropyrene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C2=C(C=C3C=CC4=C5C3=C2C=CC5=CC=C4)Cl

DOS

IR

Vibrations