Geometry & MOs

Info

ID:	69338
PubChem CID:	46530747
Reduced:	NF3O3C16H16 (1)
Stoich.:	AB3C3D16E16 (1)
Weight, g/mol:	375.084906
ΔH_f, kcal/mol:	-239.76
Dipole, Da:	6.34
IP(EA), eV:	-9.0(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)/C=C/C2=CC3=C(C=C2)OCO3)C(F)(F)F

DOS

IR

Vibrations