Geometry & MOs

Info

ID:

449446

PubChem CID:

135298668

Reduced:

FO2N7C25H26 (1)

Stoich.:

AB2C7D25E26 (1)

Weight, g/mol:

526.316858

ΔHf, kcal/mol:

15.14

Dipole, Da:

5.41

IP(EA), eV:

 -9.01(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-tert-butyl-2-[4-cyano-3-[1-[(3-cyclopropylphenyl)methyl]pyrazol-4-yl]-5-(methylamino)pyrazol-1-yl]-6-azaspiro[3.4]octane-6-carboxamide

Drug info:

PubChemData

Smile

CC#CC(=O)N1CCC2(C1)CC(C2)N3C(=C(C(=N3)C4=NN(C=C4)CC5=CC=C(C=C5)F)C(=O)N)N

DOS

IR

Vibrations