Geometry & MOs

Info

ID:	124974
PubChem CID:	50905776
Reduced:	ClN2O2H13C18 (1)
Stoich.:	AB2C2D13E18 (1)
Weight, g/mol:	235.02079
ΔH_f, kcal/mol:	33.36
Dipole, Da:	4.06
IP(EA), eV:	-8.99(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-2-nitrocyclooctane

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=N/NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations