Geometry & MOs

Info

ID:

326234

PubChem CID:

126687211

Reduced:

ClFON8C21H28 (1)

Stoich.:

ABCD8E21F28 (1)

Weight, g/mol:

435.274659

ΔHf, kcal/mol:

12.56

Dipole, Da:

4.43

IP(EA), eV:

 -8.33(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-N-(cyclopropylmethyl)-2-[[[5-ethyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,4-dihydropyrimidin-6-yl]amino]methyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CCCC(=O)N([C@@H]1CCCC[C@H]1N(C2=NC(=NC=C2F)C3=CNC4C3=CC(=CN4)Cl)N)N

DOS

IR

Vibrations