Geometry & MOs

Info

ID:	212317
PubChem CID:	81060125
Reduced:	SN3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	261.129969
ΔH_f, kcal/mol:	26.99
Dipole, Da:	5.28
IP(EA), eV:	-8.96(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-(thian-2-ylmethylamino)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NCC2CCCS2

DOS

IR

Vibrations