Geometry & MOs

Info

ID:	393883
PubChem CID:	135021904
Reduced:	ClOC20H23 (1)
Stoich.:	ABC20D23 (1)
Weight, g/mol:	376.159393
ΔH_f, kcal/mol:	-26.96
Dipole, Da:	2.77
IP(EA), eV:	-9.23(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R,6R)-2-(4-chlorophenyl)-4-phenyl-6-(1-phenylethyl)oxane

Drug info:

PubChemData

Smile

CC(C)[C@H]1C[C@H](C[C@H](O1)C2=CC=C(C=C2)Cl)C3=CC=CC=C3

DOS

IR

Vibrations