Geometry & MOs

Info

ID:

444229

PubChem CID:

135261808

Reduced:

ClO5N9C46H54 (1)

Stoich.:

AB5C9D46E54 (1)

Weight, g/mol:

491.218206

ΔHf, kcal/mol:

-101.0

Dipole, Da:

11.21

IP(EA), eV:

 -8.68(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(dimethylamino)-N-[5-[(3Z)-3-[4-(4-methylimidazol-1-yl)indol-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1(C(C(C1OC2=CC(=C(C=C2)C#N)Cl)(C)C)NC(=O)C3=CC=C(C=C3)N4CCC(CC4)CN5CCN(CC5)C6=CC=C(C=C6)C7=NN(C(=O)N7C)C8CCC(=O)NC8=O)C

DOS

IR

Vibrations