Geometry & MOs

Info

ID:	387646
PubChem CID:	134986284
Reduced:	ClFH10C14 (1)
Stoich.:	ABC10D14 (1)
Weight, g/mol:	196.109944
ΔH_f, kcal/mol:	4.95
Dipole, Da:	2.81
IP(EA), eV:	-9.36(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl (2E)-2-(2-oxocyclopentylidene)acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C(=C/F)/C2=CC=C(C=C2)Cl

DOS

IR

Vibrations