Geometry & MOs

Info

ID:	379310
PubChem CID:	134357710
Reduced:	N3F5O5C21H26 (1)
Stoich.:	A3B5C5D21E26 (1)
Weight, g/mol:	201.126598
ΔH_f, kcal/mol:	-417.08
Dipole, Da:	3.35
IP(EA), eV:	-8.68(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-5-(4-ethylpyrazol-1-yl)pyridine

Drug info:

PubChemData

Smile

CN1C2=C(C(=CC(=C2N=C1OC3CCC(CC3)OC[C@H](CF)NC(=O)CO)F)OCC(F)F)F

DOS

IR

Vibrations