Geometry & MOs

Info

ID:	178142
PubChem CID:	76285268
Reduced:	Cl2O3N6H20C22 (1)
Stoich.:	A2B3C6D20E22 (1)
Weight, g/mol:	529.139593
ΔH_f, kcal/mol:	20.33
Dipole, Da:	4.31
IP(EA), eV:	-8.71(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1Cl)C2=NC=C3C(=C2)NN=C3C4=CN(N=C4)CC(=O)NC5CC5)Cl)OC

DOS

IR

Vibrations