Geometry & MOs

Info

ID:

167200

PubChem CID:

74793221

Reduced:

N2O3C28H39 (1)

Stoich.:

A2B3C28D39 (1)

Weight, g/mol:

450.288243

ΔHf, kcal/mol:

-91.0

Dipole, Da:

4.89

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.130935

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-methoxy-1'-[(4-methoxy-2,3-dimethylphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1C)OC)C[NH+]2CCC3(CC2)C(C(C4=CC=CC=C34)NC(=O)C(C)C)OC

DOS

IR

Vibrations