Geometry & MOs

Info

ID:	446274
PubChem CID:	135273693
Reduced:	FO4N6C27H33 (1)
Stoich.:	AB4C6D27E33 (1)
Weight, g/mol:	437.206304
ΔH_f, kcal/mol:	-118.62
Dipole, Da:	3.26
IP(EA), eV:	-8.77(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-methoxy-6-(5-methyl-6-propan-2-yloxyindazol-1-yl)pyrimidin-4-yl]-3-azabicyclo[3.1.1]heptane-6-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)CN1CCC(C(C1)F)C2=CC3=C(C=C2C)C=NN3C4=CC(=NC(=N4)OC)N5CC6CC5CO6

DOS

IR

Vibrations