Geometry & MOs

Info

ID:	140623
PubChem CID:	52731555
Reduced:	N4H18C19 (1)
Stoich.:	A4B18C19 (1)
Weight, g/mol:	256.017018
ΔH_f, kcal/mol:	98.93
Dipole, Da:	3.91
IP(EA), eV:	-8.42(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-[2-(3-chlorophenoxy)ethyl]pyrazole

Drug info:

PubChemData

Smile

CC1=CC=C(N1C2=CC=C(C=C2)CNC3=C(C=CC=N3)C#N)C

DOS

IR

Vibrations