Geometry & MOs

Info

ID:	404209
PubChem CID:	135065409
Reduced:	N2C13H20 (1)
Stoich.:	A2B13C20 (1)
Weight, g/mol:	314.129824
ΔH_f, kcal/mol:	35.96
Dipole, Da:	2.32
IP(EA), eV:	-9.43(1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-1-methyl-4-(1-methylpyrazol-4-yl)-5-propylpyrazole

Drug info:

PubChemData

Smile

C=CCN1C2(N1)C3CC4CC(C3)CC2C4

DOS

IR

Vibrations