Geometry & MOs

Info

ID:	381490
PubChem CID:	134972246
Reduced:	O6C23H28 (1)
Stoich.:	A6B23C28 (1)
Weight, g/mol:	310.141638
ΔH_f, kcal/mol:	-211.35
Dipole, Da:	2.98
IP(EA), eV:	-8.59(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,7S,7aR)-7-[(4-methoxyphenyl)methoxy]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-ol

Drug info:

PubChemData

Smile

CC1(O[C@@H]2CO[C@H]([C@H]([C@@H]2O1)OCC3=CC=C(C=C3)OC)OCC4=CC=CC=C4)C

DOS

IR

Vibrations