Geometry & MOs

Info

ID:	305823
PubChem CID:	124970814
Reduced:	ON4C21H22 (1)
Stoich.:	AB4C21D22 (1)
Weight, g/mol:	439.274739
ΔH_f, kcal/mol:	28.54
Dipole, Da:	4.14
IP(EA), eV:	-9.37(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-3-(6-amino-2-methylpyrimidin-4-yl)-3-methylpiperidin-1-yl]-[4-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC=NC=C1C(=O)N2CCC[C@H](C2)CC3=CC4=CC=CC=C4N=C3

DOS

IR

Vibrations