Geometry & MOs

Info

ID:	211824
PubChem CID:	81054330
Reduced:	SF3N3C10H12 (1)
Stoich.:	AB3C3D10E12 (1)
Weight, g/mol:	291.176919
ΔH_f, kcal/mol:	-142.27
Dipole, Da:	2.14
IP(EA), eV:	-8.84(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[cycloheptyl(methyl)amino]-2,6-dimethylpyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=S)N)NCC(F)(F)F

DOS

IR

Vibrations