Geometry & MOs

Info

ID:	182137
PubChem CID:	76852192
Reduced:	ClOF2H3C6 (1)
Stoich.:	ABC2D3E6 (1)
Weight, g/mol:	332.143725
ΔH_f, kcal/mol:	-119.68
Dipole, Da:	1.87
IP(EA), eV:	-9.43(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzyl-6-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1F)Cl)F)O

DOS

IR

Vibrations