Geometry & MOs

Info

ID:

167449

PubChem CID:

74830085

Reduced:

OSN3C25H28 (2)

Stoich.:

ABC3D25E28 (2)

Weight, g/mol:

480.200885

ΔHf, kcal/mol:

45.92

Dipole, Da:

5.59

IP(EA), eV:

 -8.39(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

but-2-enedioic acid;(4-phenyldiazenylphenyl) 9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxylate

Drug info:

PubChemData

Smile

CC(C1=C(N=C(S1)NCC2CCN3CCC4=C(C3C2)C=CC(=C4)OC)C5=CC=CC=C5)C6=C(N=C(S6)NCC7CCN8CCC9=C(C8C7)C=CC(=C9)OC)C1=CC=CC=C1

DOS

IR

Vibrations