Geometry & MOs

Info

ID:	308756
PubChem CID:	126522452
Reduced:	FN4O4C27H35 (1)
Stoich.:	AB4C4D27E35 (1)
Weight, g/mol:	413.207642
ΔH_f, kcal/mol:	-191.89
Dipole, Da:	4.05
IP(EA), eV:	-8.95(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-2-ylidene]-5-(1-methylpyrazol-4-yl)-1,2-dihydropyrazolo[3,4-c]pyridine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C=CC2=C(C=CN=C21)C3=CC(=CC(=C3)F)N(CCN(C)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations