Geometry & MOs

Info

ID:	245596
PubChem CID:	99455510
Reduced:	ClN2O3C20H31 (1)
Stoich.:	AB2C3D20E31 (1)
Weight, g/mol:	382.202321
ΔH_f, kcal/mol:	-152.81
Dipole, Da:	6.35
IP(EA), eV:	-8.56(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chloro-3-methylphenoxy)-N-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]butanamide

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