Geometry & MOs

Info

ID:	28140
PubChem CID:	825808
Reduced:	BrNO2C8H8 (1)
Stoich.:	ABC2D8E8 (1)
Weight, g/mol:	189.042593
ΔH_f, kcal/mol:	1.96
Dipole, Da:	3.83
IP(EA), eV:	-10.01(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitronaphthalen-2-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Br)C)[N+](=O)[O-]

DOS

IR

Vibrations