Geometry & MOs

Info

ID:	182995
PubChem CID:	76967747
Reduced:	ClN2O3C24H29 (1)
Stoich.:	AB2C3D24E29 (1)
Weight, g/mol:	273.134049
ΔH_f, kcal/mol:	-122.59
Dipole, Da:	6.66
IP(EA), eV:	-8.65(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-propan-2-yl-2-[3-(trifluoromethyl)phenyl]morpholine

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C2=CC3(CCNCC3)OC4=CC=CC=C42)O.Cl

DOS

IR

Vibrations