Geometry & MOs

Info

ID:	319943
PubChem CID:	126657642
Reduced:	O3H16C19 (1)
Stoich.:	A3B16C19 (1)
Weight, g/mol:	504.238608
ΔH_f, kcal/mol:	-19.6
Dipole, Da:	1.83
IP(EA), eV:	-8.95(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-[(2E)-2-[5-[5-[(cyclopentylmethylamino)methyl]pyridin-3-yl]-1,2-dihydropyrazolo[3,4-b]pyridin-3-ylidene]-5-ethynylimidazol-4-yl]-2-(furan-3-yl)ethenamine

Drug info:

PubChemData

Smile

CCOC(=O)OC1CC2=CC=CC=C2C#CC3=CC=CC=C13

DOS

IR

Vibrations