Geometry & MOs

Info

ID:	412627
PubChem CID:	135085524
Reduced:	FN2H10C12 (1)
Stoich.:	AB2C10D12 (1)
Weight, g/mol:	248.169608
ΔH_f, kcal/mol:	18.96
Dipole, Da:	6.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.916382
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

Drug info:

PubChemData

Smile

C[N+]1=CC=CC2=C1NC3=C2C=C(C=C3)F

DOS

IR

Vibrations