Geometry & MOs

Info

ID:

325175

PubChem CID:

126681781

Reduced:

FON4C31H33 (1)

Stoich.:

ABC4D31E33 (1)

Weight, g/mol:

559.249587

ΔHf, kcal/mol:

26.02

Dipole, Da:

2.42

IP(EA), eV:

 -9.12(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[1-amino-1-(4-cyanophenyl)-3-cyclopropylpropyl]-2-fluorophenyl]-2-(1-aminoisoquinolin-7-yl)-5-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)N2C(=CC(=N2)C)C(=O)NC3=C(C=CC(=C3)C(CCC4CC4)(C5=CC=CC=C5)N)F

DOS

IR

Vibrations