Geometry & MOs

Info

ID:

230296

PubChem CID:

87570605

Reduced:

N2O8H21C22 (1)

Stoich.:

A2B8C21D22 (1)

Weight, g/mol:

720.314577

ΔHf, kcal/mol:

-75.27

Dipole, Da:

6.09

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.769756

Charge, e:

 0

Chem-info

IUPAC name:

2-[[3,5-bis(oxiran-2-ylmethoxy)-2-[3-[2,4,6-tris(oxiran-2-ylmethoxy)phenyl]-1-adamantyl]phenoxy]methyl]oxirane

Drug info:

PubChemData

Smile

CC[C@@]1([C@@H]([C@](C[C@@]1(C(=O)C)C(=O)[O-])(C2=CC=CC=C2)O)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations