Geometry & MOs

Info

ID:	337339
PubChem CID:	127257024
Reduced:	FN2O4C18H19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	221.060055
ΔH_f, kcal/mol:	-165.29
Dipole, Da:	2.35
IP(EA), eV:	-10.5(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-fluoro-1H-pyrazol-5-yl)methyl pyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C(=O)OCCCCC(COC(=O)C2=CN=CC=C2)F

DOS

IR

Vibrations