Geometry & MOs

Info

ID:	308907
PubChem CID:	126531832
Reduced:	O2S2N8H16C21 (1)
Stoich.:	A2B2C8D16E21 (1)
Weight, g/mol:	417.238942
ΔH_f, kcal/mol:	160.01
Dipole, Da:	11.35
IP(EA), eV:	-8.66(-2.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-4-(4-methylpiperazin-1-yl)-2-(5-piperidin-4-yl-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene)imidazo[4,5-c]pyridine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC\3=C(C=C2)NN/C3=C\4/N=C5C=CN=C(C5=N4)C6=CC=C(S6)S(=O)(=O)C

DOS

IR

Vibrations