Geometry & MOs

Info

ID:	444498
PubChem CID:	135262635
Reduced:	ON7C28H37 (1)
Stoich.:	AB7C28D37 (1)
Weight, g/mol:	452.253589
ΔH_f, kcal/mol:	56.73
Dipole, Da:	4.37
IP(EA), eV:	-8.6(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-4-[2-methoxy-6-[5-methyl-6-(2-methylpiperidin-4-yl)indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C3CCN(CC3)C4COC4)N(N=C2)C5=CC(=NC(=N5)C)N6CCN7CCC[C@H]7C6

DOS

IR

Vibrations