Geometry & MOs

Info

ID:	444677
PubChem CID:	135263244
Reduced:	NSO5C13H17 (1)
Stoich.:	ABC5D13E17 (1)
Weight, g/mol:	492.284889
ΔH_f, kcal/mol:	-196.87
Dipole, Da:	8.73
IP(EA), eV:	-9.4(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-methyl-4-[2-methyl-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CCN1C2=C(C=CC(=C2)CC(=O)O)CO

DOS

IR

Vibrations