Geometry & MOs

Info

ID:	234729
PubChem CID:	92303392
Reduced:	ON2C28H28 (1)
Stoich.:	AB2C28D28 (1)
Weight, g/mol:	376.144137
ΔH_f, kcal/mol:	33.56
Dipole, Da:	5.91
IP(EA), eV:	-8.69(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-chloro-3-[4-[2-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]propan-2-yl]phenoxy]propan-2-ol

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)[C@H]2C3=CC=CN3CCN2C(=O)C4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations