Geometry & MOs

Info

ID:	369524
PubChem CID:	127334294
Reduced:	O2N3C20H27 (1)
Stoich.:	A2B3C20D27 (1)
Weight, g/mol:	274.088832
ΔH_f, kcal/mol:	-59.32
Dipole, Da:	4.57
IP(EA), eV:	-9.11(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-pyrazol-1-ylpyridin-2-yl)-thiomorpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC1C(=O)NC2CC2)N3CCC4=CC=CC=C4C3

DOS

IR

Vibrations