Geometry & MOs

Info

ID:	67059
PubChem CID:	46505782
Reduced:	O3C23H26 (1)
Stoich.:	A3B23C26 (1)
Weight, g/mol:	326.22458
ΔH_f, kcal/mol:	-85.76
Dipole, Da:	6.69
IP(EA), eV:	-8.78(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-2-cyclopentyl-5-[(4-pentoxyphenyl)methylidene]cyclopentan-1-one

Drug info:

PubChemData

Smile

CCCCCOC1=CC=C(C=C1)/C=C/2\CCC3=C(C2=O)C=CC(=C3)OC

DOS

IR

Vibrations