Geometry & MOs

Info

ID:	253896
PubChem CID:	103121391
Reduced:	BrClO3N4C12H12 (1)
Stoich.:	ABC3D4E12F12 (1)
Weight, g/mol:	289.153875
ΔH_f, kcal/mol:	-47.7
Dipole, Da:	3.4
IP(EA), eV:	-9.29(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-propan-2-ylpyrazolo[1,5-a]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)Br)OCCN2C(=C(N=N2)C(=O)O)CN

DOS

IR

Vibrations