Geometry & MOs

Info

ID:	437261
PubChem CID:	135220178
Reduced:	NO4C5H7 (1)
Stoich.:	AB4C5D7 (1)
Weight, g/mol:	505.280138
ΔH_f, kcal/mol:	-155.16
Dipole, Da:	4.19
IP(EA), eV:	-10.05(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[4-[[2-(3,5-dimethylpiperidin-1-yl)-5-oxo-6H-pyrimido[4,5-d]pyridazin-4-yl]amino]phenyl]-4-methylpiperidin-4-yl]acetic acid

Drug info:

PubChemData

Smile

COC(=O)C(=C)NC(=O)O

DOS

IR

Vibrations