Geometry & MOs

Info

ID:	437696
PubChem CID:	135226861
Reduced:	SF2N2O2C21H22 (1)
Stoich.:	AB2C2D2E21F22 (1)
Weight, g/mol:	299.01571
ΔH_f, kcal/mol:	-150.62
Dipole, Da:	2.63
IP(EA), eV:	-8.29(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-1-cyclohexyloxy-4-nitrobenzene

Drug info:

PubChemData

Smile

CN1C=C(C2=C(C1=O)NC=C2)C3=C(C=CC(=C3)SC)OC4CCC(CC4)(F)F

DOS

IR

Vibrations