Geometry & MOs

Info

ID:

309675

PubChem CID:

126554045

Reduced:

Cl2O2N8H26C27 (1)

Stoich.:

A2B2C8D26E27 (1)

Weight, g/mol:

486.191657

ΔHf, kcal/mol:

68.78

Dipole, Da:

2.78

IP(EA), eV:

 -8.78(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methyl-N-[5-[(3E)-3-(8-pyridin-4-ylcyclohepta[d]imidazol-2-ylidene)-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]propanamide

Drug info:

PubChemData

Smile

CCN1C(=CC(=N1)C)NC(=O)[C@H](CC2=CC=CC=C2)N3C=NC(=CC3=O)C4=C(C=CC(=C4)Cl)N5C=C(NN5)Cl

DOS

IR

Vibrations