Geometry & MOs

Info

ID:

321328

PubChem CID:

126665812

Reduced:

F3N4O6C26H29 (1)

Stoich.:

A3B4C6D26E29 (1)

Weight, g/mol:

724.278502

ΔHf, kcal/mol:

-360.42

Dipole, Da:

3.82

IP(EA), eV:

 -9.65(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[[cyclopropyl(methyl)amino]-phenylmethyl]-2-fluorophenyl]-2-[2-[(2,4-dimethoxyphenyl)methyl]-1-iminoisoquinolin-7-yl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN(C(=C1)C(F)(F)F)C2=CC3=C(C=C2)C=CN=C3N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations