Geometry & MOs

Info

ID:	382838
PubChem CID:	134974215
Reduced:	OC20H24 (1)
Stoich.:	AB20C24 (1)
Weight, g/mol:	350.071463
ΔH_f, kcal/mol:	-5.43
Dipole, Da:	3.01
IP(EA), eV:	-9.11(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

C1CCC2(C1)[C@H]3CCC(=C4C=CC=C4)[C@H](O3)C5=C2CCC5

DOS

IR

Vibrations