Geometry & MOs

Info

ID:	332304
PubChem CID:	127250590
Reduced:	ON3C12H16 (2)
Stoich.:	AB3C12D16 (2)
Weight, g/mol:	439.263506
ΔH_f, kcal/mol:	-32.89
Dipole, Da:	3.38
IP(EA), eV:	-8.87(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-(3-fluorophenyl)pyridin-2-yl]morpholin-4-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone

Drug info:

PubChemData

Smile

CC1(CC(=CC(N1)(C)C)CC(=O)N2CCOC(C2)C3=CC=CC(=N3)C4=CN=C(N=C4)N)C

DOS

IR

Vibrations