Geometry & MOs

Info

ID:	254921
PubChem CID:	103128691
Reduced:	BrFON3H11C14 (1)
Stoich.:	ABCD3E11F14 (1)
Weight, g/mol:	233.152812
ΔH_f, kcal/mol:	4.44
Dipole, Da:	1.68
IP(EA), eV:	-9.43(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylhexan-1-ol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)CC(C2=C3C=NC=CN3N=C2)O)Br

DOS

IR

Vibrations