Geometry & MOs

Info

ID:

440222

PubChem CID:

135230136

Reduced:

ClN4C12H15 (1)

Stoich.:

AB4C12D15 (1)

Weight, g/mol:

474.285558

ΔHf, kcal/mol:

45.88

Dipole, Da:

6.42

IP(EA), eV:

 -8.95(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[5-[(3S)-3,4-dimethyl-2-(methylaminomethyl)pyrrolidin-1-yl]pyridin-2-yl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclopentane]-10-one

Drug info:

PubChemData

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CC(C)[C@H]1CNCC2=CC3=CN=C(N=C3N12)Cl

DOS

IR

Vibrations