Geometry & MOs

Info

ID:	212376
PubChem CID:	81060303
Reduced:	SN3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	217.121512
ΔH_f, kcal/mol:	54.36
Dipole, Da:	5.75
IP(EA), eV:	-9.16(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(SC=C1)CNC2=C(C(=NC(=C2)C)C)C#N

DOS

IR

Vibrations