Geometry & MOs

Info

ID:	444461
PubChem CID:	135262520
Reduced:	FN3C13H16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	508.304956
ΔH_f, kcal/mol:	-2.88
Dipole, Da:	2.76
IP(EA), eV:	-8.73(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[(3R)-3-(hydroxymethyl)morpholin-4-yl]-2-methylpyrimidin-4-yl]-5-methyl-6-[1-(oxolan-3-yl)piperidin-4-yl]-2,3-dihydroinden-1-ol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1[C@H]3CCNC[C@H]3F)NN=C2

DOS

IR

Vibrations