Geometry & MOs

Info

ID:	240466
PubChem CID:	93580411
Reduced:	NCl2O4C20H21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	452.163348
ΔH_f, kcal/mol:	-103.19
Dipole, Da:	2.19
IP(EA), eV:	-8.93(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(2,4-dichlorophenoxy)-3-[[4-(dimethylamino)phenyl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]propan-2-ol

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CN(CC2=CC=CO2)C[C@H](COC3=C(C=C(C=C3)Cl)Cl)O

DOS

IR

Vibrations