Geometry & MOs

Info

ID:	446973
PubChem CID:	135279239
Reduced:	FO3N6C26H35 (1)
Stoich.:	AB3C6D26E35 (1)
Weight, g/mol:	498.275467
ΔH_f, kcal/mol:	-111.87
Dipole, Da:	1.29
IP(EA), eV:	-8.8(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-fluoro-3-[4-[1-[6-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]propan-2-ol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C3CCN(CC3)CC(CO)F)N(N=C2)C4=CC(=NC(=N4)C)N5CCOC(C5)CO

DOS

IR

Vibrations