Geometry & MOs

Info

ID:	253669
PubChem CID:	103119892
Reduced:	ON5H11C14 (1)
Stoich.:	AB5C11D14 (1)
Weight, g/mol:	330.98689
ΔH_f, kcal/mol:	87.77
Dipole, Da:	4.22
IP(EA), eV:	-8.4(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)pyrazolo[1,5-a]pyrazine

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N=C(N2)C3=C4C=NC=CN4N=C3

DOS

IR

Vibrations