Geometry & MOs

Info

ID:	311210
PubChem CID:	126589919
Reduced:	BrN3O3C22H32 (1)
Stoich.:	AB3C3D22E32 (1)
Weight, g/mol:	366.120213
ΔH_f, kcal/mol:	-151.65
Dipole, Da:	3.66
IP(EA), eV:	-9.1(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2-fluoro-4-methylphenoxy)-2-(1-methyl-4,5-dihydroazepin-2-yl)thieno[3,2-b]pyridine

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)C)Br)N2CCC3(CC2)CCN(C3)C(=O)OC(C)(C)C)C(=O)C

DOS

IR

Vibrations