Geometry & MOs

Info

ID:	282704
PubChem CID:	103936657
Reduced:	ClN2C14H21 (1)
Stoich.:	AB2C14D21 (1)
Weight, g/mol:	263.188529
ΔH_f, kcal/mol:	-7.81
Dipole, Da:	3.05
IP(EA), eV:	-8.32(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3,5-dimethylphenyl)ethanol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)Cl)NC2CCCN(CC2)C

DOS

IR

Vibrations