Geometry & MOs

Info

ID:	212215
PubChem CID:	81059844
Reduced:	N2O2H14C15 (1)
Stoich.:	A2B2C14D15 (1)
Weight, g/mol:	307.095475
ΔH_f, kcal/mol:	-12.19
Dipole, Da:	5.38
IP(EA), eV:	-9.84(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,4-difluorophenyl)methylamino]-2,6-dimethylpyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)OC2=CC=CC=C2CO

DOS

IR

Vibrations