Geometry & MOs

Info

ID:	447905
PubChem CID:	135286704
Reduced:	FON7H22C28 (1)
Stoich.:	ABC7D22E28 (1)
Weight, g/mol:	436.144787
ΔH_f, kcal/mol:	110.67
Dipole, Da:	11.16
IP(EA), eV:	-8.83(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-[4-(3-fluorophenyl)pyrrolo[2,3-c]pyridin-2-ylidene]-5-(5-methoxypyridin-3-yl)-1,2-dihydropyrazolo[3,4-c]pyridine

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C\4/C=C5C(=CN=CC5=N4)C6=CC=CC=C6F)/NN3

DOS

IR

Vibrations