Geometry & MOs

Info

ID:	25766
PubChem CID:	630503
Reduced:	Si5O7C21H50 (1)
Stoich.:	A5B7C21D50 (1)
Weight, g/mol:	333.145282
ΔH_f, kcal/mol:	-581.42
Dipole, Da:	1.27
IP(EA), eV:	-9.52(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-2-methyl-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

C[Si](C)(C)OCC(=O)C(C(C(C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C

DOS

IR

Vibrations