Geometry & MOs

Info

ID:	446305
PubChem CID:	135273929
Reduced:	O4N6C27H34 (1)
Stoich.:	A4B6C27D34 (1)
Weight, g/mol:	490.269239
ΔH_f, kcal/mol:	-65.94
Dipole, Da:	6.31
IP(EA), eV:	-8.75(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-methyl-1-[2-methyl-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]indazol-6-yl]-1-[(3S)-oxolan-3-yl]piperidin-3-ol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C3CCN(CC3O)C4CCOC4)N(N=C2)C5=CC(=NC(=N5)OC)N6CC7CC6CO7

DOS

IR

Vibrations