Geometry & MOs

Info

ID:	39811
PubChem CID:	8142420
Reduced:	SN2O5H18C21 (1)
Stoich.:	AB2C5D18E21 (1)
Weight, g/mol:	274.99458
ΔH_f, kcal/mol:	-42.54
Dipole, Da:	3.92
IP(EA), eV:	-8.76(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NE)-N-(4-bromo-2,3-dihydrocyclopenta[b]naphthalen-1-ylidene)hydroxylamine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N=CC2=CC(=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)[N+](=O)[O-]

DOS

IR

Vibrations