Geometry & MOs

Info

ID:	449618
PubChem CID:	135300092
Reduced:	N8H20C23 (1)
Stoich.:	A8B20C23 (1)
Weight, g/mol:	296.126711
ΔH_f, kcal/mol:	229.07
Dipole, Da:	8.94
IP(EA), eV:	-7.76(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-1-methyl-4-octyl-3-(trifluoromethyl)pyrazole

Drug info:

PubChemData

Smile

C/C(=C/N(C)C1=CN=CC2=N/C(=C\3/C4=C(NN3)N=CC(=C4)C5=CC=CC=N5)/C=C12)/N=C

DOS

IR

Vibrations