Geometry & MOs

Info

ID:

43667

PubChem CID:

10321618

Reduced:

O3N4H24C27 (1)

Stoich.:

A3B4C24D27 (1)

Weight, g/mol:

452.219889

ΔHf, kcal/mol:

-4.61

Dipole, Da:

8.32

IP(EA), eV:

 -9.09(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2'R,3'aR,4S,7'S,7'aR)-2,2-dimethyl-7'-[(4-methylphenyl)methoxy]-2'-[(1R,2R)-2-phenylcyclopropyl]spiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)CN2C(CCN3C2=NC(=CC3=O)C4=CC=NC=C4)C5=CC=CC=C5

DOS

IR

Vibrations