Geometry & MOs

Info

ID:	12328
PubChem CID:	135075
Reduced:	NO3H9C16 (1)
Stoich.:	AB3C9D16 (1)
Weight, g/mol:	263.058243
ΔH_f, kcal/mol:	16.32
Dipole, Da:	6.97
IP(EA), eV:	-9.1(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-nitropyren-2-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations