Geometry & MOs

Info

ID:	69333
PubChem CID:	46530724
Reduced:	NF3O4C18H22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	358.059898
ΔH_f, kcal/mol:	-295.25
Dipole, Da:	9.22
IP(EA), eV:	-8.47(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-nitro-1-benzothiophen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1/C=C/C(=O)N2CCCC(C2)C(F)(F)F)OC)OC

DOS

IR

Vibrations