Geometry & MOs

Info

ID:	424433
PubChem CID:	135122670
Reduced:	OC3N4H8 (1)
Stoich.:	AB3C4D8 (1)
Weight, g/mol:	454.115631
ΔH_f, kcal/mol:	-19.71
Dipole, Da:	3.05
IP(EA), eV:	-10.09(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[[5-chloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxyacetic acid

Drug info:

PubChemData

Smile

C(=N/C(=O)N)\C(N)N

DOS

IR

Vibrations