Geometry & MOs

Info

ID:	330892
PubChem CID:	127248299
Reduced:	OSN5C18H19 (1)
Stoich.:	ABC5D18E19 (1)
Weight, g/mol:	395.141596
ΔH_f, kcal/mol:	49.49
Dipole, Da:	3.08
IP(EA), eV:	-8.84(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

morpholin-4-yl-[3-(1-pyrimidin-2-ylpyrrolidin-3-yl)thieno[2,3-b]pyridin-2-yl]methanone

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=C(C2=C(S1)N=CC=C2)C3CCN(C3)C4=NC=CC=N4

DOS

IR

Vibrations