Geometry & MOs

Info

ID:	444495
PubChem CID:	135262628
Reduced:	ON2C9H12 (3)
Stoich.:	AB2C9D12 (3)
Weight, g/mol:	452.253589
ΔH_f, kcal/mol:	-37.54
Dipole, Da:	2.96
IP(EA), eV:	-8.82(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-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

CC1CC(CCN1C2COC2)C3=CC4=C(C=C3C)C=NN4C5=CC(=NC(=N5)C)N6CCO[C@H](C6)CO

DOS

IR

Vibrations