Geometry & MOs

Info

ID:

308959

PubChem CID:

126532847

Reduced:

ON10C30H34 (1)

Stoich.:

AB10C30D34 (1)

Weight, g/mol:

465.173565

ΔHf, kcal/mol:

141.46

Dipole, Da:

7.22

IP(EA), eV:

 -8.1(-2.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[5-[(3E)-3-[4-(5-methylthiophen-2-yl)pyrrolo[2,3-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CN=CC3=N/C(=C/4\C5=C(NN4)N=CC(=C5)C6=CC(=CN=C6)NC(=O)CC7CCNCC7)/C=C23

DOS

IR

Vibrations