Geometry & MOs

Info

ID:

184428

PubChem CID:

77159689

Reduced:

O14C25H28 (1)

Stoich.:

A14B25C28 (1)

Weight, g/mol:

512.235888

ΔHf, kcal/mol:

-556.98

Dipole, Da:

5.03

IP(EA), eV:

 -9.08(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 5-cyclohexyl-1-[4-methyl-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]piperidine-3-carboxylate;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CC(C(C(C(C1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC(=C(C=C4)O)O)O)O)O)O)O)O)O)O

DOS

IR

Vibrations