Geometry & MOs

Info

ID:	245611
PubChem CID:	99455598
Reduced:	ClN2O4C20H31 (1)
Stoich.:	AB2C4D20E31 (1)
Weight, g/mol:	398.197235
ΔH_f, kcal/mol:	-176.33
Dipole, Da:	3.83
IP(EA), eV:	-8.49(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-5-methoxy-4-propoxybenzamide

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1Cl)C(=O)NC[C@@H](C)N2C[C@H](O[C@H](C2)C)C)OC

DOS

IR

Vibrations