Geometry & MOs

Info

ID:	444465
PubChem CID:	135262548
Reduced:	ON3C13H17 (2)
Stoich.:	AB3C13D17 (2)
Weight, g/mol:	506.300539
ΔH_f, kcal/mol:	-14.39
Dipole, Da:	2.79
IP(EA), eV:	-8.72(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-4-[2-methyl-6-[5-methyl-6-[1-(4-methyloxolan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C3CCN(CC3)C4CCOC4)N(N=C2)C5=NC(=NC(=C5)N[C@@H]6CCOC6)C

DOS

IR

Vibrations