Geometry & MOs

Info

ID:	444468
PubChem CID:	135262565
Reduced:	ION3C8H10 (1)
Stoich.:	ABC3D8E10 (1)
Weight, g/mol:	506.300539
ΔH_f, kcal/mol:	34.52
Dipole, Da:	3.02
IP(EA), eV:	-9.31(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=NC(=CC(=N1)I)N2CCC2

DOS

IR

Vibrations