Geometry & MOs

Info

ID:	68412
PubChem CID:	46508362
Reduced:	F3O3N5C19H24 (1)
Stoich.:	A3B3C5D19E24 (1)
Weight, g/mol:	388.062396
ΔH_f, kcal/mol:	-244.45
Dipole, Da:	8.32
IP(EA), eV:	-10.05(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=NC(=NN12)C(F)(F)F)C)CC(=O)OC(C)C(=O)NC3CCCCC3

DOS

IR

Vibrations