Geometry & MOs

Info

ID:	212576
PubChem CID:	81061068
Reduced:	S2N4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	246.136828
ΔH_f, kcal/mol:	36.61
Dipole, Da:	3.75
IP(EA), eV:	-8.74(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-(oxan-2-ylmethoxy)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=S)N)NC2=NC(=CS2)C(C)(C)C

DOS

IR

Vibrations