Geometry & MOs

Info

ID:	69337
PubChem CID:	46530733
Reduced:	SN2O5H18C20 (1)
Stoich.:	AB2C5D18E20 (1)
Weight, g/mol:	327.108228
ΔH_f, kcal/mol:	-124.64
Dipole, Da:	4.42
IP(EA), eV:	-9.19(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1,3-benzodioxol-5-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)CCNC(=O)C2=CC=C(S2)NC(=O)C3=CC=CO3

DOS

IR

Vibrations