Geometry & MOs

Info

ID:	253432
PubChem CID:	103118396
Reduced:	ClN6H9C13 (1)
Stoich.:	AB6C9D13 (1)
Weight, g/mol:	327.01196
ΔH_f, kcal/mol:	114.44
Dipole, Da:	2.35
IP(EA), eV:	-8.38(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-2-pyrazolo[1,5-a]pyridin-3-yl-1H-benzimidazol-4-amine

Drug info:

PubChemData

Smile

C1=CN2C(=C(C=N2)C3=NC4=C(C=C(C=C4N3)Cl)N)C=N1

DOS

IR

Vibrations