Geometry & MOs

Info

ID:	403609
PubChem CID:	135060944
Reduced:	NO2H17C19 (1)
Stoich.:	AB2C17D19 (1)
Weight, g/mol:	176.131349
ΔH_f, kcal/mol:	-23.6
Dipole, Da:	2.02
IP(EA), eV:	-8.97(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1Z,3E)-octa-1,3-dienyl]pyrazole

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)CCC(=O)OCC3=CC=CC=N3

DOS

IR

Vibrations