Geometry & MOs

Info

ID:	254971
PubChem CID:	103129034
Reduced:	OSN2C14H14 (1)
Stoich.:	ABC2D14E14 (1)
Weight, g/mol:	320.9913
ΔH_f, kcal/mol:	33.49
Dipole, Da:	3.57
IP(EA), eV:	-8.68(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-2-fluorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanol

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C(C2=NN(C3=CC=CC=C32)C)O

DOS

IR

Vibrations