Geometry & MOs

Info

ID:	336514
PubChem CID:	127255521
Reduced:	BrN2O2H5C9 (1)
Stoich.:	AB2C2D5E9 (1)
Weight, g/mol:	240.039814
ΔH_f, kcal/mol:	50.67
Dipole, Da:	3.58
IP(EA), eV:	-10.06(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hydroxy-5-(trifluoromethyl)naphthalene-1-carbaldehyde

Drug info:

PubChemData

Smile

C1=CN=CC2=C1C(=CC(=C2)[N+](=O)[O-])Br

DOS

IR

Vibrations