Geometry & MOs

Info

ID:

449625

PubChem CID:

135300131

Reduced:

ON8H28C30 (1)

Stoich.:

AB8C28D30 (1)

Weight, g/mol:

604.271051

ΔHf, kcal/mol:

158.4

Dipole, Da:

7.63

IP(EA), eV:

 -8.13(-1.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

cyclopropyl-[[5-[(3Z)-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolo[2,3-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]amino]methanol

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=CN=CC3=N/C(=C\4/C5=C(NN4)N=CC(=C5)C6=CC(=CN=C6)NC(C7=CC=CC=C7)O)/C=C23

DOS

IR

Vibrations