Geometry & MOs

Info

ID:	171687
PubChem CID:	75413633
Reduced:	OSN3C15H19 (1)
Stoich.:	ABC3D15E19 (1)
Weight, g/mol:	309.073597
ΔH_f, kcal/mol:	17.21
Dipole, Da:	4.81
IP(EA), eV:	-8.76(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC(COC)N=C(N)SCC1=CC=CC2=C1N=CC=C2

DOS

IR

Vibrations