Geometry & MOs

Info

ID:	171928
PubChem CID:	75442102
Reduced:	BrO3N4C11H11 (1)
Stoich.:	AB3C4D11E11 (1)
Weight, g/mol:	287.118238
ΔH_f, kcal/mol:	25.24
Dipole, Da:	6.45
IP(EA), eV:	-9.25(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(3-fluoropyridin-2-yl)amino]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CN(C)C2=C(C=NC=C2[N+](=O)[O-])Br

DOS

IR

Vibrations