Geometry & MOs

Info

ID:	444265
PubChem CID:	135261921
Reduced:	O4C27H42 (1)
Stoich.:	A4B27C42 (1)
Weight, g/mol:	490.211724
ΔH_f, kcal/mol:	-215.46
Dipole, Da:	7.07
IP(EA), eV:	-9.24(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-[4-(furan-3-yl)indol-2-ylidene]-5-[5-(2-pyrrolidin-1-ylethoxy)pyridin-3-yl]-1,2-dihydropyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

CCCCCCCOC1=CC=C(C=C1)C(=O)COC(=O)C2CCC(CC2)CCCCC

DOS

IR

Vibrations