Geometry & MOs

Info

ID:

308978

PubChem CID:

126533377

Reduced:

N8C23H28 (1)

Stoich.:

A8B23C28 (1)

Weight, g/mol:

576.276136

ΔHf, kcal/mol:

155.12

Dipole, Da:

6.14

IP(EA), eV:

 -8.07(-2.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-fluoro-5-[(2E)-2-[5-[5-(pyrrolidin-1-ylmethyl)pyridin-3-yl]-1,2-dihydropyrazolo[3,4-b]pyridin-3-ylidene]pyrrolo[2,3-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CN=CC3=N/C(=C/4\C5=C(NN4)N=CC(=C5)C6CCNCC6)/C=C23

DOS

IR

Vibrations