Geometry & MOs

Info

ID:

447911

PubChem CID:

135286742

Reduced:

ON10C30H34 (1)

Stoich.:

AB10C30D34 (1)

Weight, g/mol:

510.229186

ΔHf, kcal/mol:

143.95

Dipole, Da:

3.98

IP(EA), eV:

 -8.12(-2.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[(2E)-2-[5-(2,3-dimethylimidazol-4-yl)-1,2-dihydropyrazolo[3,4-c]pyridin-3-ylidene]pyrrolo[2,3-c]pyridin-4-yl]-5-fluorophenoxy]-N,N-dimethylethanamine

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CN=CC3=N/C(=C/4\C5=CC(=NC=C5NN4)C6=CC(=CN=C6)NC(=O)CC7CCNCC7)/C=C23

DOS

IR

Vibrations