Geometry & MOs

Info

ID:	318626
PubChem CID:	126652359
Reduced:	ClN2O4C18H25 (1)
Stoich.:	AB2C4D18E25 (1)
Weight, g/mol:	269.118257
ΔH_f, kcal/mol:	-189.61
Dipole, Da:	3.75
IP(EA), eV:	-9.47(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]propan-2-ol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C[C@@H](OC[C@@H]1CC2=CC=C(C=C2)Cl)C(=O)NC

DOS

IR

Vibrations