Geometry & MOs

Info

ID:	444119
PubChem CID:	135261354
Reduced:	FON7H22C32 (1)
Stoich.:	ABC7D22E32 (1)
Weight, g/mol:	405.133808
ΔH_f, kcal/mol:	145.24
Dipole, Da:	9.12
IP(EA), eV:	-8.58(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(=O)NC2=CN=CC(=C2)C3=NC=C4C(=C3)/C(=C/5\C=C6C(=N5)C=CN=C6C7=CC=CC=C7F)/NN4

DOS

IR

Vibrations