Geometry & MOs

Info

ID:	291710
PubChem CID:	113460235
Reduced:	SN2O2C13H14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	274.123676
ΔH_f, kcal/mol:	8.99
Dipole, Da:	2.53
IP(EA), eV:	-8.87(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-1-cyclohexyl-4-methyl-3-phenylpyrazole

Drug info:

PubChemData

Smile

CC(C1=NC(=NO1)CSC)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations