Geometry & MOs

Info

ID:	225603
PubChem CID:	85856304
Reduced:	N2O3C13H14 (1)
Stoich.:	A2B3C13D14 (1)
Weight, g/mol:	243.125929
ΔH_f, kcal/mol:	-7.16
Dipole, Da:	10.33
IP(EA), eV:	-8.75(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylbutan-2-yl)-4-nitrosonaphthalen-1-ol

Drug info:

PubChemData

Smile

CCCOC1=C(C2=CC=CC=C2N1)C=C[N+](=O)[O-]

DOS

IR

Vibrations