Geometry & MOs

Info

ID:	444462
PubChem CID:	135262524
Reduced:	N4O4C29H40 (1)
Stoich.:	A4B4C29D40 (1)
Weight, g/mol:	508.279804
ΔH_f, kcal/mol:	-138.79
Dipole, Da:	3.42
IP(EA), eV:	-8.78(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C3CCN(CC3)C4CCOC4)C(CC2)(C5=CC(=NC(=N5)C)N6CCOC[C@H]6CO)O

DOS

IR

Vibrations