Geometry & MOs

Info

ID:

444110

PubChem CID:

135261340

Reduced:

FO2N9C34H34 (1)

Stoich.:

AB2C9D34E34 (1)

Weight, g/mol:

589.30777

ΔHf, kcal/mol:

76.37

Dipole, Da:

2.77

IP(EA), eV:

 -8.63(-2.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-fluoro-5-[(2Z)-2-[5-[5-(piperidin-1-ylmethyl)pyridin-3-yl]-1,2-dihydropyrazolo[3,4-c]pyridin-3-ylidene]pyrrolo[3,2-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine

Drug info:

PubChemData

Smile

CN(C)CC(=O)NC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C/4\C=C5C(=N4)C=CN=C5C6=CC(=CC(=C6)F)OCCN7CCCC7)/NN3

DOS

IR

Vibrations