Geometry & MOs

Info

ID:	212404
PubChem CID:	81060447
Reduced:	SN3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	257.189198
ΔH_f, kcal/mol:	91.04
Dipole, Da:	4.63
IP(EA), eV:	-9.04(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)N(CC2=CC=CS2)C3CC3

DOS

IR

Vibrations