Geometry & MOs

Info

ID:

446061

PubChem CID:

135272096

Reduced:

FON7H28C32 (1)

Stoich.:

ABC7D28E32 (1)

Weight, g/mol:

539.204528

ΔHf, kcal/mol:

91.12

Dipole, Da:

9.8

IP(EA), eV:

 -8.42(-1.91)

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-(3-fluoro-5-methylphenyl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)C2=NC=CC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CC(=CN=C6)NC(=O)C7CCCCC7)NN4)/C=C32

DOS

IR

Vibrations