Geometry & MOs

Info

ID:	211815
PubChem CID:	81054280
Reduced:	OSN3C15H23 (1)
Stoich.:	ABC3D15E23 (1)
Weight, g/mol:	291.176919
ΔH_f, kcal/mol:	-39.46
Dipole, Da:	5.18
IP(EA), eV:	-8.59(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CC(O1)(C)C)C2=C(C(=NC(=C2)C)C)C(=S)N

DOS

IR

Vibrations