Geometry & MOs

Info

ID:	305531
PubChem CID:	124958526
Reduced:	FO2N4C17H19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	331.16444
ΔH_f, kcal/mol:	-53.46
Dipole, Da:	2.05
IP(EA), eV:	-8.98(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1F)CN2CCC[C@@]2(C3=NC=CN=C3)C(=O)N

DOS

IR

Vibrations