Geometry & MOs

Info

ID:	290507
PubChem CID:	104643363
Reduced:	FN2O3H7C13 (1)
Stoich.:	AB2C3D7E13 (1)
Weight, g/mol:	204.081124
ΔH_f, kcal/mol:	-71.32
Dipole, Da:	4.99
IP(EA), eV:	-9.9(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyclopropyl-1,2,4-triazol-3-yl)-5-fluoropyridine

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C(=O)O)N=C(O2)C3=NC=C(C=C3)F

DOS

IR

Vibrations