Geometry & MOs

Info

ID:	444450
PubChem CID:	135262467
Reduced:	ION4C20H23 (1)
Stoich.:	ABC4D20E23 (1)
Weight, g/mol:	462.05527
ΔH_f, kcal/mol:	35.17
Dipole, Da:	5.17
IP(EA), eV:	-8.98(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(6-iodo-2-methoxypyrimidin-4-yl)-5-methylindazol-6-yl]cyclohexan-1-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C3CCC(CC3)(C)O)N(N=C2)C4=CC(=NC(=N4)C)I

DOS

IR

Vibrations