Geometry & MOs

Info

ID:

444088

PubChem CID:

135261301

Reduced:

FON7H24C28 (1)

Stoich.:

ABC7D24E28 (1)

Weight, g/mol:

505.202637

ΔHf, kcal/mol:

108.38

Dipole, Da:

2.01

IP(EA), eV:

 -8.61(-2.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)NC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C/4\C=C5C(=N4)C=CN=C5C6=CC(=CC(=C6)F)OC)/NN3

DOS

IR

Vibrations