Geometry & MOs

Info

ID:	254098
PubChem CID:	103122682
Reduced:	BrO2N3C9H14 (1)
Stoich.:	AB2C3D9E14 (1)
Weight, g/mol:	329.01637
ΔH_f, kcal/mol:	-46.48
Dipole, Da:	4.78
IP(EA), eV:	-9.66(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(bromomethyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)NCCOCCBr

DOS

IR

Vibrations