Geometry & MOs

Info

ID:	309843
PubChem CID:	126562071
Reduced:	FO3N7C17H18 (1)
Stoich.:	AB3C7D17E18 (1)
Weight, g/mol:	393.145042
ΔH_f, kcal/mol:	-23.82
Dipole, Da:	3.98
IP(EA), eV:	-9.08(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-[4-(4-methylimidazol-1-yl)pyrrolo[2,3-c]pyridin-2-ylidene]-5-pyrimidin-5-yl-1,2-dihydropyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

CON=C1CN(C1)C2=NC=C(C=N2)C3=CC=CC(=C3F)COC(=O)N=C(N)N

DOS

IR

Vibrations