Geometry & MOs

Info

ID:	333762
PubChem CID:	127252314
Reduced:	FN3O3H24C25 (1)
Stoich.:	AB3C3D24E25 (1)
Weight, g/mol:	442.203862
ΔH_f, kcal/mol:	-103.31
Dipole, Da:	2.69
IP(EA), eV:	-9.38(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylpiperidin-4-yl)-[3-[2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CCC2=CC=C(C=C2)F)C3=CC=CC(=N3)C4=CC(=CC=C4)C(=O)N

DOS

IR

Vibrations