Geometry & MOs

Info

ID:	387893
PubChem CID:	134987292
Reduced:	O3C14H16 (1)
Stoich.:	A3B14C16 (1)
Weight, g/mol:	340.03241
ΔH_f, kcal/mol:	-104.61
Dipole, Da:	4.58
IP(EA), eV:	-9.75(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(1-iodo-4-phenylbutylidene)cyclopentan-1-one

Drug info:

PubChemData

Smile

C1C[C@@H](C(C1)C(=O)OCC2=CC=CC=C2)C=O

DOS

IR

Vibrations