Geometry & MOs

Info

ID:	262767
PubChem CID:	103315602
Reduced:	F3N5C11H12 (1)
Stoich.:	A3B5C11D12 (1)
Weight, g/mol:	281.113982
ΔH_f, kcal/mol:	-59.94
Dipole, Da:	1.92
IP(EA), eV:	-8.87(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-methylphenyl)-2-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN=C3N2NC(=C3)C(F)(F)F

DOS

IR

Vibrations