Geometry & MOs

Info

ID:	308692
PubChem CID:	126522388
Reduced:	FON7H28C31 (1)
Stoich.:	ABC7D28E31 (1)
Weight, g/mol:	390.134142
ΔH_f, kcal/mol:	108.8
Dipole, Da:	2.99
IP(EA), eV:	-8.8(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)CNCC2=CC(=CN=C2)C3=NC=C4C(=C3)/C(=C\5/C=C6C(=CC=NC6=N5)C7=CC(=CC(=C7)F)O)/NN4

DOS

IR

Vibrations