Geometry & MOs

Info

ID:	447928
PubChem CID:	135286896
Reduced:	FO2N8C35H35 (1)
Stoich.:	AB2C8D35E35 (1)
Weight, g/mol:	394.100066
ΔH_f, kcal/mol:	77.68
Dipole, Da:	6.13
IP(EA), eV:	-8.86(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-5-pyridin-3-yl-3-(4-thiophen-2-ylpyrrolo[2,3-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-c]pyridine

Drug info:

PubChemData

Smile

C1CCN(C1)CCOC2=CC(=CC(=C2)C3=CN=CC4=N/C(=C/5\C6=CC(=NC=C6NN5)C7=CC(=CN=C7)OC8CCNCC8)/C=C34)F

DOS

IR

Vibrations