Geometry & MOs

Info

ID:	330818
PubChem CID:	127248225
Reduced:	FSN3O3C22H22 (1)
Stoich.:	ABC3D3E22F22 (1)
Weight, g/mol:	423.198048
ΔH_f, kcal/mol:	-92.98
Dipole, Da:	6.59
IP(EA), eV:	-9.16(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[2-(2,6-dimethylphenoxy)ethyl]pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=C(C2=C(S1)N=CC=C2)C3CCN(C3)C(=O)COC4=CC=C(C=C4)F

DOS

IR

Vibrations