Geometry & MOs

Info

ID:	183972
PubChem CID:	77097239
Reduced:	N7C17H17 (1)
Stoich.:	A7B17C17 (1)
Weight, g/mol:	259.11209
ΔH_f, kcal/mol:	122.71
Dipole, Da:	7.28
IP(EA), eV:	-8.81(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-N-methyl-N-(1-pyridin-2-ylethyl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC2=C1N=C(N2)C3=CNN=C3)CC4=NC5=CC=CC=C5N4

DOS

IR

Vibrations