Geometry & MOs

Info

ID:	5387
PubChem CID:	13090
Reduced:	NO2H9C16 (1)
Stoich.:	AB2C9D16 (1)
Weight, g/mol:	247.063329
ΔH_f, kcal/mol:	56.32
Dipole, Da:	6.29
IP(EA), eV:	-8.91(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-nitropyrene

Drug info:

PubChemData

Smile

C1=CC2=C3C(=C1)C=CC4=C3C(=CC(=C4)[N+](=O)[O-])C=C2

DOS

IR

Vibrations