Geometry & MOs

Info

ID:

447874

PubChem CID:

135286485

Reduced:

ClO3F4N5H22C25 (1)

Stoich.:

AB3C4D5E22F25 (1)

Weight, g/mol:

555.218287

ΔHf, kcal/mol:

-225.71

Dipole, Da:

4.24

IP(EA), eV:

 -9.35(-1.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[5-[(3Z)-3-[4-(3-fluoro-5-methoxyphenyl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]methyl]-1-phenylmethanamine

Drug info:

PubChemData

Smile

CC(C)(C1=NC=C(C=N1)C2=C(C=C3C(=N2)C(=C(C=N3)Cl)NC(C4=C(C=CC(=C4)C(CO)O)F)C(F)F)F)O

DOS

IR

Vibrations