Geometry & MOs

Info

ID:

447817

PubChem CID:

135285982

Reduced:

ON9H25C26 (1)

Stoich.:

AB9C25D26 (1)

Weight, g/mol:

525.188878

ΔHf, kcal/mol:

181.08

Dipole, Da:

2.03

IP(EA), eV:

 -8.63(-2.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3Z)-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-[4-(2-fluorophenyl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

CC1=CN(C=N1)C2=NC=CC3=N/C(=C\4/C5=C(NN4)N=CC(=C5)C6=CC(=CN=C6)OCCN(C)C)/C=C32

DOS

IR

Vibrations