Geometry & MOs

Info

ID:	212262
PubChem CID:	81059951
Reduced:	OSN3C16H21 (1)
Stoich.:	ABC3D16E21 (1)
Weight, g/mol:	305.192569
ΔH_f, kcal/mol:	-16.32
Dipole, Da:	3.76
IP(EA), eV:	-8.54(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=S)N)NC(C)C2=C(OC(=C2)C)C

DOS

IR

Vibrations