Geometry & MOs

Info

ID:	403265
PubChem CID:	135059448
Reduced:	BrO3N4H17C21 (1)
Stoich.:	AB3C4D17E21 (1)
Weight, g/mol:	194.073165
ΔH_f, kcal/mol:	70.14
Dipole, Da:	9.2
IP(EA), eV:	-8.89(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1aS,9bR)-1a,9b-dihydroanthra[1,2-b]oxirene

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C=C(C=C2)C3=C(N=NN3CCC4=CC=C(C=C4)[N+](=O)[O-])Br

DOS

IR

Vibrations