Geometry & MOs

Info

ID:	237032
PubChem CID:	92716964
Reduced:	NO2C25H35 (1)
Stoich.:	AB2C25D35 (1)
Weight, g/mol:	341.199094
ΔH_f, kcal/mol:	-78.38
Dipole, Da:	0.84
IP(EA), eV:	-8.83(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2R,3S)-3-hydroxy-1-morpholin-4-yl-2-phenylpentan-3-yl]phenol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@](CCC(C)C)([C@H](CN2CCOCC2)C3=CC=CC=C3)O

DOS

IR

Vibrations