Geometry & MOs

Info

ID:	127098
PubChem CID:	50990626
Reduced:	NOC17H25 (1)
Stoich.:	ABC17D25 (1)
Weight, g/mol:	442.144119
ΔH_f, kcal/mol:	-56.86
Dipole, Da:	1.22
IP(EA), eV:	-8.72(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-6-[4-(2-fluorophenoxy)-1,2-dihydropyrazol-3-ylidene]-3-[(1-phenylpyrazol-4-yl)methoxy]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1CCC(CC1)(CNC2CCCC3=CC=CC=C23)O

DOS

IR

Vibrations