Geometry & MOs

Info

ID:

378641

PubChem CID:

134224735

Reduced:

OSN3H33C45 (1)

Stoich.:

ABC3D33E45 (1)

Weight, g/mol:

366.241962

ΔHf, kcal/mol:

173.3

Dipole, Da:

2.92

IP(EA), eV:

 -7.9(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-(5-methoxy-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridin-2-yl)propyl]-1-methyl-2-propan-2-yl-3a,7a-dihydropyrrolo[3,2-b]pyridine

Drug info:

PubChemData

Smile

CN(C1C(NC2=C(N1)C3=CC=CC=C3O2)C4=CC=C(C=C4)C5=CC=CC=C5)C6=C(C=C7C(=C6)C8=C(S7)C9=CC=CC=C9C=C8)C1=CC=CC=C1

DOS

IR

Vibrations