Geometry & MOs

Info

ID:

447898

PubChem CID:

135286659

Reduced:

SN6H16C23 (1)

Stoich.:

AB6C16D23 (1)

Weight, g/mol:

489.207722

ΔHf, kcal/mol:

209.0

Dipole, Da:

6.14

IP(EA), eV:

 -8.84(-2.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E)-3-[4-(2-fluorophenyl)pyrrolo[2,3-c]pyridin-2-ylidene]-5-[5-(pyrrolidin-1-ylmethyl)pyridin-3-yl]-1,2-dihydropyrazolo[3,4-c]pyridine

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=CN=CC3=N/C(=C/4\C5=CC(=NC=C5NN4)C6=CN=CC=C6)/C=C23

DOS

IR

Vibrations