Geometry & MOs

Info

ID:

381489

PubChem CID:

134972245

Reduced:

N2O4C25H28 (1)

Stoich.:

A2B4C25D28 (1)

Weight, g/mol:

400.188589

ΔHf, kcal/mol:

-88.54

Dipole, Da:

3.99

IP(EA), eV:

 -9.04(-0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1[C@H]2[C@H](CC(=[N+]1[O-])C)C(=O)N([C@H]2CC3=CC=CC=C3)CC4=CC=CC=C4

DOS

IR

Vibrations