Geometry & MOs

Info

ID:

432871

PubChem CID:

135173008

Reduced:

FOSN8H21C25 (1)

Stoich.:

ABCD8E21F25 (1)

Weight, g/mol:

548.154307

ΔHf, kcal/mol:

126.74

Dipole, Da:

11.32

IP(EA), eV:

 -8.72(-2.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[5-[(3Z)-4-fluoro-3-(7-thiophen-2-ylimidazo[4,5-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]amino]-2-phenylethanol

Drug info:

PubChemData

Smile

CCCC(NC1=CN=CC(=C1)C2=NC=C3C(=C2F)/C(=C\4/N=C5C=NC=C(C5=N4)C6=CC=CS6)/NN3)O

DOS

IR

Vibrations