Geometry & MOs

Info

ID:	387703
PubChem CID:	134986502
Reduced:	NO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	213.028206
ΔH_f, kcal/mol:	-117.75
Dipole, Da:	5.64
IP(EA), eV:	-10.34(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-bis(methylsulfanyl)-1-pyridin-2-ylethanone

Drug info:

PubChemData

Smile

COC(=O)C1CCCCC(=O)C(CC1)C#N

DOS

IR

Vibrations