Geometry & MOs

Info

ID:	245612
PubChem CID:	99455601
Reduced:	ClN2O4C20H31 (1)
Stoich.:	AB2C4D20E31 (1)
Weight, g/mol:	350.220557
ΔH_f, kcal/mol:	-176.19
Dipole, Da:	4.73
IP(EA), eV:	-8.64(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-4-ethoxy-3-methoxybenzamide

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