Geometry & MOs

Info

ID:	358603
PubChem CID:	127296362
Reduced:	O2N6C21H28 (1)
Stoich.:	A2B6C21D28 (1)
Weight, g/mol:	236.098334
ΔH_f, kcal/mol:	-1.32
Dipole, Da:	4.77
IP(EA), eV:	-9.48(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methylpyridin-3-yl)-(2-methylthiomorpholin-4-yl)methanone

Drug info:

PubChemData

Smile

C1CC(CCC1CC(=O)N2CCN(CC2)C(=O)CN3C=NN=N3)C4=CC=CC=C4

DOS

IR

Vibrations