Geometry & MOs

Info

ID:	444200
PubChem CID:	135261681
Reduced:	N8C23H24 (1)
Stoich.:	A8B23C24 (1)
Weight, g/mol:	405.170194
ΔH_f, kcal/mol:	191.79
Dipole, Da:	6.51
IP(EA), eV:	-7.9(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC=CC3=N/C(=C\4/C5=C(NN4)N=CC(=C5)C6=CN(N=C6)C)/C=C32

DOS

IR

Vibrations