Geometry & MOs

Info

ID:	67056
PubChem CID:	46505777
Reduced:	ClOC17H19 (1)
Stoich.:	ABC17D19 (1)
Weight, g/mol:	504.288912
ΔH_f, kcal/mol:	-33.15
Dipole, Da:	3.82
IP(EA), eV:	-9.59(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,5E)-2,5-bis[[3-(2-methylpropyl)-1-phenylpyrazol-4-yl]methylidene]cyclopentan-1-one

Drug info:

PubChemData

Smile

C1CCC(C1)C2CC/C(=C\C3=CC=CC=C3Cl)/C2=O

DOS

IR

Vibrations