Geometry & MOs

Info

ID:

309677

PubChem CID:

126554215

Reduced:

N10C27H30 (1)

Stoich.:

A10B27C30 (1)

Weight, g/mol:

493.16848

ΔHf, kcal/mol:

244.72

Dipole, Da:

7.59

IP(EA), eV:

 -8.43(-1.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(dimethylamino)-N-[3-[(3Z)-3-(4-thiophen-2-ylpyrrolo[2,3-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

C/C=C(/C1=NC\2=C(C=C1)NN/C2=C/3\N=C(C(=N3)/C(=C\C=C)/N4C=C(N=C4)C)C)\N=C(C=C)N5CC(C5)N

DOS

IR

Vibrations