Geometry & MOs

Info

ID:	392901
PubChem CID:	135018375
Reduced:	O3C6H11 (2)
Stoich.:	A3B6C11 (2)
Weight, g/mol:	475.235873
ΔH_f, kcal/mol:	-299.7
Dipole, Da:	1.92
IP(EA), eV:	-10.12(1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl]methanol

Drug info:

PubChemData

Smile

CC1(OC[C@@H](O1)[C@@H]([C@@]2(COC(O2)(C)C)CO)O)C

DOS

IR

Vibrations