Geometry & MOs

Info

ID:	308687
PubChem CID:	126522383
Reduced:	FO2N8C32H33 (1)
Stoich.:	AB2C8D32E33 (1)
Weight, g/mol:	379.118158
ΔH_f, kcal/mol:	89.58
Dipole, Da:	7.84
IP(EA), eV:	-8.69(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-[4-(furan-3-yl)pyrrolo[2,3-b]pyridin-2-ylidene]-5-pyrimidin-5-yl-1,2-dihydropyrazolo[3,4-c]pyridine

Drug info:

PubChemData

Smile

CN(C)CCOC1=CC(=CC(=C1)C2=CC=NC3=N/C(=C/4\C5=CC(=NC=C5NN4)C6=CC(=CN=C6)OCCN(C)C)/C=C23)F

DOS

IR

Vibrations