Geometry & MOs

Info

ID:	444199
PubChem CID:	135261679
Reduced:	ClN3O3C25H28 (1)
Stoich.:	AB3C3D25E28 (1)
Weight, g/mol:	412.212393
ΔH_f, kcal/mol:	-64.58
Dipole, Da:	8.14
IP(EA), eV:	-9.56(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-[4-(4-methylpiperazin-1-yl)indol-2-ylidene]-5-(1-methylpyrazol-4-yl)-1,2-dihydropyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

CC1(C(C(C1OC2=CC(=C(C=C2)C#N)Cl)(C)C)NC(=O)C3=CN=C(C=C3)CCCC=O)C

DOS

IR

Vibrations