Geometry & MOs

Info

ID:	64867
PubChem CID:	29204117
Reduced:	NOC13H18 (2)
Stoich.:	ABC13D18 (2)
Weight, g/mol:	349.144471
ΔH_f, kcal/mol:	-116.19
Dipole, Da:	0.93
IP(EA), eV:	-9.23(-0.19)
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-[(3S,5S)-3,5-dimethylpiperidin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)C(=O)C2=CC=C(C=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4)C

DOS

IR

Vibrations