Geometry & MOs

Info

ID:

433008

PubChem CID:

135173145

Reduced:

NOH23C36 (1)

Stoich.:

ABC23D36 (1)

Weight, g/mol:

633.2976

ΔHf, kcal/mol:

136.67

Dipole, Da:

3.27

IP(EA), eV:

 -8.93(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

cyclopentyl-[[5-[(3Z)-3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]amino]methanol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=C(C=CC=C42)C5=CC6=C(C=C5)OC7=CC=CC=C76)C8=CC=NC=C8

DOS

IR

Vibrations