Geometry & MOs

Info

ID:	446299
PubChem CID:	135273875
Reduced:	ON3C17H23 (1)
Stoich.:	AB3C17D23 (1)
Weight, g/mol:	460.258674
ΔH_f, kcal/mol:	12.04
Dipole, Da:	4.86
IP(EA), eV:	-8.48(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-methyl-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]-6-oxa-3-azabicyclo[3.1.1]heptane

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C2C3C2CN(C3)C4CCOC4)N)C=N

DOS

IR

Vibrations