Geometry & MOs

Info

ID:

447886

PubChem CID:

135286580

Reduced:

OSN7H27C29 (1)

Stoich.:

ABC7D27E29 (1)

Weight, g/mol:

519.218287

ΔHf, kcal/mol:

162.99

Dipole, Da:

9.1

IP(EA), eV:

 -8.41(-1.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3E)-3-[4-(3-fluorophenyl)pyrrolo[2,3-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]-3,3-dimethylbutanamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=NC=CC3=N/C(=C\4/C5=C(NN4)N=CC(=C5)C6=CC(=CN=C6)OCCN7CCCC7)/C=C32

DOS

IR

Vibrations