Geometry & MOs

Info

ID:	245622
PubChem CID:	99455630
Reduced:	N3O4C25H39 (1)
Stoich.:	A3B4C25D39 (1)
Weight, g/mol:	445.294057
ΔH_f, kcal/mol:	-177.38
Dipole, Da:	6.79
IP(EA), eV:	-8.48(-0.19)
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-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H](N1C(=O)COC2=CC=C(C=C2)C(=O)NC[C@@H](C)N3C[C@H](O[C@H](C3)C)C)C

DOS

IR

Vibrations