Geometry & MOs

Info

ID:	380230
PubChem CID:	134970606
Reduced:	BrNO7C32H40 (1)
Stoich.:	ABC7D32E40 (1)
Weight, g/mol:	460.26136
ΔH_f, kcal/mol:	-289.52
Dipole, Da:	6.36
IP(EA), eV:	-9.21(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-3,4-bis(phenylmethoxy)-2-(2-phenylmethoxypropan-2-yl)oxane

Drug info:

PubChemData

Smile

C[C@H]1C[C@H](C[C@@H](O1)C[C@H]([C@H](C)[C@@H]2[C@@H](C(=O)N(C(=O)O2)C(CC3=CC=CC=C3)CBr)C)OC(=O)C4=CC=CC=C4)OC

DOS

IR

Vibrations