Geometry & MOs

Info

ID:

418944

PubChem CID:

135107185

Reduced:

O8N9C44H57 (1)

Stoich.:

A8B9C44D57 (1)

Weight, g/mol:

289.136117

ΔHf, kcal/mol:

-273.3

Dipole, Da:

9.22

IP(EA), eV:

 -8.31(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4,6-dimethyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)CC3=CNC4=CC=CC=C43)C(=O)C5=NNC6=C5COCC6)C(C)C

DOS

IR

Vibrations