Geometry & MOs

Info

ID:

444183

PubChem CID:

135261605

Reduced:

FN7H26C30 (1)

Stoich.:

AB7C26D30 (1)

Weight, g/mol:

488.207307

ΔHf, kcal/mol:

152.39

Dipole, Da:

3.28

IP(EA), eV:

 -8.6(-2.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2-dimethyl-N-[5-[(3Z)-3-(4-pyridin-3-ylpyrrolo[3,2-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]propanamide

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2=CC(=CN=C2)C3=NC=C4C(=C3)/C(=C/5\C=C6C(=N5)C=CN=C6C7=CC=C(C=C7)F)/NN4

DOS

IR

Vibrations