Geometry & MOs

Info

ID:

449675

PubChem CID:

135300543

Reduced:

FON7H28C30 (1)

Stoich.:

ABC7D28E30 (1)

Weight, g/mol:

521.233937

ΔHf, kcal/mol:

90.01

Dipole, Da:

4.77

IP(EA), eV:

 -8.65(-2.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[5-[(3Z)-3-[4-(4-fluorophenyl)pyrrolo[2,3-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]amino]-3,3-dimethylbutan-1-ol

Drug info:

PubChemData

Smile

CC(C)(C)CC(NC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C/4\C=C5C(=CN=CC5=N4)C6=CC=CC=C6F)/NN3)O

DOS

IR

Vibrations