Geometry & MOs

Info

ID:	446920
PubChem CID:	135278807
Reduced:	OSN3H21C24 (1)
Stoich.:	ABC3D21E24 (1)
Weight, g/mol:	536.311104
ΔH_f, kcal/mol:	67.5
Dipole, Da:	5.24
IP(EA), eV:	-8.54(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[1-[6-[(2R)-2-(hydroxymethyl)morpholin-4-yl]-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]-2-methylpiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCSC1=CC(=C(C=C1)OC2=CC3=C(C=C2)NC=C3)C4=C5C=CNC5=NC(=C4)C

DOS

IR

Vibrations