Geometry & MOs

Info

ID:	447901
PubChem CID:	135286677
Reduced:	FON7H24C30 (1)
Stoich.:	ABC7D24E30 (1)
Weight, g/mol:	404.149793
ΔH_f, kcal/mol:	111.06
Dipole, Da:	9.9
IP(EA), eV:	-8.73(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)NC2=CN=CC(=C2)C3=NC=C4C(=C3)/C(=C\5/C=C6C(=CN=CC6=N5)C7=CC=CC=C7F)/NN4

DOS

IR

Vibrations