Geometry & MOs

Info

ID:	67029
PubChem CID:	46505725
Reduced:	NOC26H31 (1)
Stoich.:	ABC26D31 (1)
Weight, g/mol:	244.14633
ΔH_f, kcal/mol:	5.66
Dipole, Da:	4.24
IP(EA), eV:	-8.81(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)/C=C\2/C(=O)/C(=C/C3=CC=C(C=C3)CC)/CN(C2)C(C)C

DOS

IR

Vibrations