Geometry & MOs

Info

ID:	254302
PubChem CID:	103124104
Reduced:	BrN2O2H9C10 (1)
Stoich.:	AB2C2D9E10 (1)
Weight, g/mol:	292.067034
ΔH_f, kcal/mol:	-34.59
Dipole, Da:	3.42
IP(EA), eV:	-8.75(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-benzothiophen-3-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)Br)N2C=CNC2=O

DOS

IR

Vibrations