Geometry & MOs

Info

ID:	67039
PubChem CID:	46505745
Reduced:	NOBr2F2H19C26 (1)
Stoich.:	ABC2D2E19F26 (1)
Weight, g/mol:	254.167065
ΔH_f, kcal/mol:	-13.21
Dipole, Da:	2.31
IP(EA), eV:	-9.37(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-2-cyclopentyl-5-[(2-methylphenyl)methylidene]cyclopentan-1-one

Drug info:

PubChemData

Smile

C\1N(C/C(=C\C2=CC(=C(C=C2)F)Br)/C(=O)/C1=C/C3=CC(=C(C=C3)F)Br)CC4=CC=CC=C4

DOS

IR

Vibrations