Geometry & MOs

Info

ID:	271566
PubChem CID:	103684182
Reduced:	SN3C13H21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	247.114319
ΔH_f, kcal/mol:	-2.6
Dipole, Da:	2.23
IP(EA), eV:	-8.63(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methylsulfanylcyclohexyl)amino]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C)NC2CCCCC2SC

DOS

IR

Vibrations