Geometry & MOs

Info

ID:

449873

PubChem CID:

135302199

Reduced:

FON9C34H34 (1)

Stoich.:

ABC9D34E34 (1)

Weight, g/mol:

632.313584

ΔHf, kcal/mol:

103.98

Dipole, Da:

11.28

IP(EA), eV:

 -8.39(-2.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]-2-piperidin-4-ylacetamide

Drug info:

PubChemData

Smile

CN(C)CCNC1=CC(=CC(=C1)C2=NC=CC3=N/C(=C\4/C5=C(NN4)N=CC(=C5)C6=CC(=CN=C6)NC(=O)C7CCCC7)/C=C32)F

DOS

IR

Vibrations