Geometry & MOs

Info

ID:	420184
PubChem CID:	135111712
Reduced:	O3N8C17H20 (1)
Stoich.:	A3B8C17D20 (1)
Weight, g/mol:	304.133554
ΔH_f, kcal/mol:	52.32
Dipole, Da:	8.23
IP(EA), eV:	-9.16(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-fluoro-4-methoxypyrimidin-2-yl)-4-pyridin-3-ylpiperidin-4-ol

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CN2CCN(CC2)C(=O)COC3=CC=CC(=C3)N4C=NN=N4

DOS

IR

Vibrations