Geometry & MOs

Info

ID:

449195

PubChem CID:

135296736

Reduced:

NO3C13H17 (2)

Stoich.:

AB3C13D17 (2)

Weight, g/mol:

477.207722

ΔHf, kcal/mol:

-194.31

Dipole, Da:

11.88

IP(EA), eV:

 -8.56(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[(3Z)-3-[4-(3-fluoro-5-methylphenyl)pyrrolo[2,3-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]-N,N-dimethylmethanamine

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN2C(=CC1=O)C3=CC(=C(C=C3C4N2C(CCC4)(C)C)OCCCOC)OC

DOS

IR

Vibrations