Geometry & MOs

Info

ID:

429832

PubChem CID:

135169885

Reduced:

FIOSN4H16C21 (1)

Stoich.:

ABCDE4F16G21 (1)

Weight, g/mol:

534.114249

ΔHf, kcal/mol:

52.76

Dipole, Da:

3.64

IP(EA), eV:

 -9.29(-2.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[6-[amino-[(Z)-1-amino-3-hydroxyprop-1-en-2-yl]amino]-5-chloropyridin-3-yl]-1-(1-oxo-2H-isoquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN(CC=C)C(=O)C1=CC2=C(N=C1)N(C=C2C3=CC(=C4C(=C3)C=CC=N4)F)SI

DOS

IR

Vibrations