Geometry & MOs

Info

ID:	333743
PubChem CID:	127252295
Reduced:	ON2C10H10 (2)
Stoich.:	AB2C10D10 (2)
Weight, g/mol:	427.131425
ΔH_f, kcal/mol:	16.49
Dipole, Da:	2.27
IP(EA), eV:	-9.39(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]morpholin-4-yl]-(1H-pyrazol-5-yl)methanone

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)C2=CC=NN2)C3=CC=CC(=N3)CC4=CC=CC=C4

DOS

IR

Vibrations