Geometry & MOs

Info

ID:	212625
PubChem CID:	81061260
Reduced:	SN3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	245.152812
ΔH_f, kcal/mol:	66.85
Dipole, Da:	4.75
IP(EA), eV:	-9.14(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-[(2-methyloxolan-2-yl)methylamino]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)N(C)CCC2=CC=CS2

DOS

IR

Vibrations