Geometry & MOs

Info

ID:

429474

PubChem CID:

135169523

Reduced:

ON4H32C51 (1)

Stoich.:

AB4C32D51 (1)

Weight, g/mol:

487.11352

ΔHf, kcal/mol:

232.82

Dipole, Da:

3.89

IP(EA), eV:

 -8.25(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[amino-[(Z)-2-aminoethenyl]amino]-3-chlorophenyl]-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=CC(=N3)C4=CC(=CC=C4)N5C6=C(C7=C5C8=C(C=C7)N=C(O8)C9=CC=CC=C9)C1=CC=CC=C1C=C6)C1=CC=CC=C1

DOS

IR

Vibrations