Geometry & MOs

Info

ID:	64444
PubChem CID:	29200656
Reduced:	NO4C17H23 (1)
Stoich.:	AB4C17D23 (1)
Weight, g/mol:	349.144471
ΔH_f, kcal/mol:	-148.69
Dipole, Da:	4.5
IP(EA), eV:	-8.66(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-[(2R)-2-ethylpiperidin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC[C@H]1CCCCN1C(=O)C2=CC3=C(C(=C2)OC)OCCO3

DOS

IR

Vibrations