Geometry & MOs

Info

ID:	425950
PubChem CID:	135133532
Reduced:	BrON6H15C22 (1)
Stoich.:	ABC6D15E22 (1)
Weight, g/mol:	384.169859
ΔH_f, kcal/mol:	145.85
Dipole, Da:	5.03
IP(EA), eV:	-9.2(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-4-(4-imidazol-1-ylphenyl)-1-methyl-3-phenyl-2,4-dihydropyrazolo[3,4-b]pyridin-5-ol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2C(=C(OC3=NNC(=C23)C4=CC=C(C=C4)Br)N)C#N)N5C=CN=C5

DOS

IR

Vibrations