Geometry & MOs

Info

ID:	446276
PubChem CID:	135273712
Reduced:	O8C13H24 (1)
Stoich.:	A8B13C24 (1)
Weight, g/mol:	506.264154
ΔH_f, kcal/mol:	-376.16
Dipole, Da:	0.93
IP(EA), eV:	-10.72(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[1-[2-methoxy-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-5-methylindazol-6-yl]-1-(oxetan-3-yl)piperidin-3-yl]methanol

Drug info:

PubChemData

Smile

C(CCOC(=O)OCCCOC(=O)OCCCCO)CO

DOS

IR

Vibrations