Geometry & MOs

Info

ID:	12840
PubChem CID:	146565
Reduced:	NO3H11C20 (1)
Stoich.:	AB3C11D20 (1)
Weight, g/mol:	313.073893
ΔH_f, kcal/mol:	33.16
Dipole, Da:	5.11
IP(EA), eV:	-8.7(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-nitrobenzo[e]pyren-3-ol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C4C(=C(C=C3)O)C=CC5=C4C2=C(C=C5)[N+](=O)[O-]

DOS

IR

Vibrations