Geometry & MOs

Info

ID:	326435
PubChem CID:	126687543
Reduced:	BrN2O2F3H12C17 (1)
Stoich.:	AB2C2D3E12F17 (1)
Weight, g/mol:	183.045092
ΔH_f, kcal/mol:	-163.98
Dipole, Da:	4.2
IP(EA), eV:	-9.46(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1E)-1-chlorobuta-1,3-dienyl]-2-nitrosocyclopentene

Drug info:

PubChemData

Smile

CCC1=C(N2C=CC=CC2=N1)C(=O)C3=CC(=C(C(=C3)Br)O)C(F)(F)F

DOS

IR

Vibrations