Geometry & MOs

Info

ID:	67043
PubChem CID:	46505751
Reduced:	OC19H24 (1)
Stoich.:	AB19C24 (1)
Weight, g/mol:	285.136493
ΔH_f, kcal/mol:	-38.06
Dipole, Da:	3.55
IP(EA), eV:	-9.26(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-2-cyclopentyl-5-[(3-nitrophenyl)methylidene]cyclopentan-1-one

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)/C=C/2\CCC(C2=O)C3CCCC3

DOS

IR

Vibrations