Geometry & MOs

Info

ID:

449617

PubChem CID:

135300087

Reduced:

O2N5C32H37 (1)

Stoich.:

A2B5C32D37 (1)

Weight, g/mol:

408.181093

ΔHf, kcal/mol:

2.4

Dipole, Da:

7.09

IP(EA), eV:

 -7.85(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-N-methyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]-2-(5-pyridin-2-yl-1,2-dihydropyrazolo[3,4-b]pyridin-3-ylidene)pyrrolo[2,3-c]pyridin-4-amine

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=CC=C(C=C1)NC2=CC=C(C=C2)NC3=CC=C(C=C3)N=C(C)/C=C\C(=NC(=O)C(C)C)C

DOS

IR

Vibrations