Geometry & MOs

Info

ID:	446341
PubChem CID:	135274210
Reduced:	ClNH20C25 (1)
Stoich.:	ABC20D25 (1)
Weight, g/mol:	582.1007
ΔH_f, kcal/mol:	66.55
Dipole, Da:	2.25
IP(EA), eV:	-8.29(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-(5-chloro-6-piperidin-4-ylindazol-1-yl)-2-methoxypyrimidin-4-yl]-2-iodo-2,5-dimethylmorpholine

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)NC3=CC=CC=C3Cl)C4=CC=CC5=C4C1=CC=C5)C

DOS

IR

Vibrations