Geometry & MOs

Info

ID:

416037

PubChem CID:

135089042

Reduced:

ClO4N5C37H46 (1)

Stoich.:

AB4C5D37E46 (1)

Weight, g/mol:

366.253195

ΔHf, kcal/mol:

-157.36

Dipole, Da:

8.06

IP(EA), eV:

 -8.4(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5,6-dimethyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](NC(=O)C1)CC3=CNC4=CC=CC=C43)NC(=O)C5(CCC5)C6=CC=C(C=C6)Cl)C(C)C

DOS

IR

Vibrations