Geometry & MOs

Info

ID:	212622
PubChem CID:	81061248
Reduced:	ClFN3H13C15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	261.129969
ΔH_f, kcal/mol:	9.49
Dipole, Da:	3.93
IP(EA), eV:	-9.24(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,6-dimethylthiomorpholin-4-yl)-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NCC2=CC(=C(C=C2)F)Cl

DOS

IR

Vibrations