Geometry & MOs

Info

ID:

447824

PubChem CID:

135286033

Reduced:

O2N7H23C27 (1)

Stoich.:

A2B7C23D27 (1)

Weight, g/mol:

513.154721

ΔHf, kcal/mol:

116.57

Dipole, Da:

10.03

IP(EA), eV:

 -8.5(-2.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3Z)-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-(4-thiophen-2-ylpyrrolo[3,2-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NC1=CN=CC(=C1)C2=CC\3=C(NN/C3=C\4/C=C5C(=N4)C=CN=C5C6=COC=C6)N=C2

DOS

IR

Vibrations