Geometry & MOs

Info

ID:

448244

PubChem CID:

135289578

Reduced:

FO2N9H30C35 (1)

Stoich.:

AB2C9D30E35 (1)

Weight, g/mol:

632.313584

ΔHf, kcal/mol:

124.32

Dipole, Da:

8.86

IP(EA), eV:

 -8.54(-2.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-cyclohexyl-N-[5-[(3Z)-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]imidazo[4,5-b]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]acetamide

Drug info:

PubChemData

Smile

CN(C)CCOC1=CC(=CC(=C1)C2=CC=NC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CC(=CN=C6)NC(=O)CC7=CC=CC=C7)NN4)/N=C23)F

DOS

IR

Vibrations