Geometry & MOs

Info

ID:	212610
PubChem CID:	81061192
Reduced:	SN3O3C14H19 (1)
Stoich.:	AB3C3D14E19 (1)
Weight, g/mol:	189.126598
ΔH_f, kcal/mol:	-120.29
Dipole, Da:	8.16
IP(EA), eV:	-8.89(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-(propan-2-ylamino)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=O)N)N2CCSCC2CC(=O)O

DOS

IR

Vibrations