Geometry & MOs

Info

ID:	404211
PubChem CID:	135065434
Reduced:	ClN3C18H18 (1)
Stoich.:	AB3C18D18 (1)
Weight, g/mol:	336.077789
ΔH_f, kcal/mol:	69.86
Dipole, Da:	6.45
IP(EA), eV:	-9.2(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-6-[(4Z)-4-[5-(4-chlorophenyl)-1,2-dihydropyrazol-3-ylidene]-1H-pyrazol-5-ylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CCCC1=C(C(=NN1C)C2=CC=C(C=C2)Cl)C3=CC=NC=C3

DOS

IR

Vibrations