Geometry & MOs

Info

ID:

391072

PubChem CID:

135002624

Reduced:

WO8H20C24 (1)

Stoich.:

AB8C20D24 (1)

Weight, g/mol:

347.152144

ΔHf, kcal/mol:

-52.86

Dipole, Da:

2.61

IP(EA), eV:

 -6.85(0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2R,3R)-2-(furan-3-yl)-1-(4-methylphenyl)-3,3a-dihydro-2H-cyclohepta[b]pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H]2[C@H]([C@@]2(CO)C3=CC=CC=C3)C(=[W])OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]

DOS

IR

Vibrations