Geometry & MOs

Info

ID:	161517
PubChem CID:	57391875
Reduced:	ClO3N7C18H24 (1)
Stoich.:	AB3C7D18E24 (1)
Weight, g/mol:	550.198754
ΔH_f, kcal/mol:	16.05
Dipole, Da:	6.0
IP(EA), eV:	-8.78(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]-2-(1-ethylpiperidin-4-yl)acetamide;(2R,3R)-2,3-dihydroxybutanedioic acid

Drug info:

PubChemData

Smile

CCN1C2=CC(=NC(=C2N=C1C3=NON=C3N)C#CC(C)(C)O)OCCNC.Cl

DOS

IR

Vibrations