Geometry & MOs

Info

ID:	178143
PubChem CID:	76285332
Reduced:	Cl2O3N7C24H25 (1)
Stoich.:	A2B3C7D24E25 (1)
Weight, g/mol:	502.092309
ΔH_f, kcal/mol:	3.94
Dipole, Da:	3.14
IP(EA), eV:	-8.68(-0.74)
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-(3-hydroxyazetidin-1-yl)ethanone

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CN2C=C(C=N2)C3=NNC4=CC(=NC=C43)C5=C(C(=CC(=C5Cl)OC)OC)Cl

DOS

IR

Vibrations