Geometry & MOs

Info

ID:

379525

PubChem CID:

134440030

Reduced:

FCl2N7H20C22 (1)

Stoich.:

AB2C7D20E22 (1)

Weight, g/mol:

473.233937

ΔHf, kcal/mol:

97.62

Dipole, Da:

4.42

IP(EA), eV:

 -9.01(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[9-amino-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-f][1,5]diazonin-7-yl]-3,5-dimethylpyrazol-4-yl]cyclopropan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=NC=NC(=C2)NC3=NN(C(=C3Cl)C4=CC=C(C=C4)F)CC5CC5)C)Cl

DOS

IR

Vibrations