Geometry & MOs

Info

ID:

447947

PubChem CID:

135287063

Reduced:

OSN7H25C29 (1)

Stoich.:

ABC7D25E29 (1)

Weight, g/mol:

577.271385

ΔHf, kcal/mol:

158.02

Dipole, Da:

9.98

IP(EA), eV:

 -8.83(-2.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[(3Z)-3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]-N,N-dimethylmethanamine

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)NC2=CN=CC(=C2)C3=NC=C4C(=C3)/C(=C\5/C=C6C(=CN=CC6=N5)C7=CSC=C7)/NN4

DOS

IR

Vibrations