Geometry & MOs

Info

ID:

447883

PubChem CID:

135286542

Reduced:

FON8C34H35 (1)

Stoich.:

ABC8D34E35 (1)

Weight, g/mol:

590.291786

ΔHf, kcal/mol:

111.67

Dipole, Da:

5.68

IP(EA), eV:

 -8.64(-2.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CCOC1=CC(=CC(=C1)C2=NC=CC3=N/C(=C\4/C5=C(NN4)N=CC(=C5)C6=CN=CC(=C6)CN7CCCCC7)/C=C32)F

DOS

IR

Vibrations