Geometry & MOs

Info

ID:	67057
PubChem CID:	46505779
Reduced:	ON4C33H36 (1)
Stoich.:	AB4C33D36 (1)
Weight, g/mol:	446.235814
ΔH_f, kcal/mol:	81.37
Dipole, Da:	4.12
IP(EA), eV:	-8.75(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,5E)-2,5-bis[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]cyclopentan-1-one

Drug info:

PubChemData

Smile

CC(CC1=NN(C=C1/C=C\2/C(=O)/C(=C/C3=CN(N=C3CC(C)C)C4=CC=CC=C4)/CC2)C5=CC=CC=C5)C

DOS

IR

Vibrations