Geometry & MOs

Info

ID:	444476
PubChem CID:	135262590
Reduced:	FON3C16H22 (1)
Stoich.:	ABC3D16E22 (1)
Weight, g/mol:	522.295454
ΔH_f, kcal/mol:	-58.84
Dipole, Da:	2.33
IP(EA), eV:	-8.76(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[1-[2-methoxy-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-5-methylindazol-6-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C3CCN(CC3)CC(CO)F)NN=C2

DOS

IR

Vibrations