Geometry & MOs

Info

ID:	315427
PubChem CID:	126626365
Reduced:	N2O2H14C15 (2)
Stoich.:	A2B2C14D15 (2)
Weight, g/mol:	238.146999
ΔH_f, kcal/mol:	-43.11
Dipole, Da:	3.46
IP(EA), eV:	-8.79(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E,5E)-3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4,5-bis(prop-2-enylidene)-1H-pyrazole

Drug info:

PubChemData

Smile

C1CC1C(C2=CC=CC=N2)NC(=O)C3=CC4=C(C=C3)NN=C4C5=CC6=C(C=C5)OC7(CCOCC7)CC6=O

DOS

IR

Vibrations