Geometry & MOs

Info

ID:	447769
PubChem CID:	135285511
Reduced:	N3H13C15 (2)
Stoich.:	A3B13C15 (2)
Weight, g/mol:	422.221895
ΔH_f, kcal/mol:	192.51
Dipole, Da:	6.55
IP(EA), eV:	-8.26(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-[4-(4-methylpiperazin-1-yl)indol-2-ylidene]-5-(4-methylpyridin-3-yl)-1,2-dihydroindazole

Drug info:

PubChemData

Smile

C1CCN(C1)CC2=CC(=CN=C2)C3=CC\4=C(C=C3)NN/C4=C\5/C=C6C(=N5)C=CC=C6C7=CN=CC=C7

DOS

IR

Vibrations