Geometry & MOs

Info

ID:	245621
PubChem CID:	99455628
Reduced:	N3O3C20H29 (1)
Stoich.:	A3B3C20D29 (1)
Weight, g/mol:	445.294057
ΔH_f, kcal/mol:	-129.37
Dipole, Da:	4.75
IP(EA), eV:	-8.85(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzamide

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@@H](O1)C)[C@@H](C)CNC(=O)C2=CC(=CC=C2)N3CCCC3=O

DOS

IR

Vibrations