Geometry & MOs

Info

ID:	404134
PubChem CID:	135065109
Reduced:	PN2O4C14H17 (1)
Stoich.:	AB2C4D14E17 (1)
Weight, g/mol:	308.059504
ΔH_f, kcal/mol:	-142.0
Dipole, Da:	1.29
IP(EA), eV:	-8.76(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-1-phenyl-4-thiophen-2-yl-3-(trifluoromethyl)pyrazole

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=C(NN=C2C=C)P(=O)(OC)OC

DOS

IR

Vibrations