Geometry & MOs

Info

ID:	245597
PubChem CID:	99455512
Reduced:	ClN2O3C20H31 (1)
Stoich.:	AB2C3D20E31 (1)
Weight, g/mol:	456.16237
ΔH_f, kcal/mol:	-153.45
Dipole, Da:	6.57
IP(EA), eV:	-8.64(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-4,5-diethoxyphenyl)-N-[(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@H](O1)C)[C@H](C)CNC(=O)CCCOC2=CC(=C(C=C2)Cl)C

DOS

IR

Vibrations