Geometry & MOs

Info

ID:	130306
PubChem CID:	51075562
Reduced:	FN2O5H11C16 (1)
Stoich.:	AB2C5D11E16 (1)
Weight, g/mol:	300.138639
ΔH_f, kcal/mol:	-110.07
Dipole, Da:	4.4
IP(EA), eV:	-9.95(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]ethanol

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CC(C3=CC=C(C=C3)F)O

DOS

IR

Vibrations