Geometry & MOs

Info

ID:	444201
PubChem CID:	135261692
Reduced:	N7H19C24 (1)
Stoich.:	A7B19C24 (1)
Weight, g/mol:	425.196408
ΔH_f, kcal/mol:	198.14
Dipole, Da:	3.58
IP(EA), eV:	-8.59(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3Z)-3-[4-(4-methylpiperazin-1-yl)indol-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol

Drug info:

PubChemData

Smile

CC1=C(C=NC=C1)C2=CC\3=C(NN/C3=C\4/C=C5C(=N4)C=CC=C5N6C=C(N=C6)C)N=C2

DOS

IR

Vibrations