Geometry & MOs

Info

ID:	174737
PubChem CID:	75807093
Reduced:	ON4C24H33 (1)
Stoich.:	AB4C24D33 (1)
Weight, g/mol:	369.101034
ΔH_f, kcal/mol:	13.14
Dipole, Da:	5.49
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752309
Charge, e:	0

Chem-info

IUPAC name:

1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one

Drug info:

PubChemData

Smile

CC[NH+]1CCN(CC1)CC2=CC=CC=C2CNC(=O)NC3CCC4=CC=CC=C34

DOS

IR

Vibrations