Geometry & MOs

Info

ID:	308908
PubChem CID:	126531833
Reduced:	N9C22H27 (1)
Stoich.:	A9B22C27 (1)
Weight, g/mol:	410.196743
ΔH_f, kcal/mol:	164.73
Dipole, Da:	8.05
IP(EA), eV:	-8.07(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC=CC3=N/C(=C/4\C5=C(C=CC(=N5)C6CCNCC6)NN4)/N=C32

DOS

IR

Vibrations