Geometry & MOs

Info

ID:	305950
PubChem CID:	124975609
Reduced:	ON5C18H19 (1)
Stoich.:	AB5C18D19 (1)
Weight, g/mol:	345.18009
ΔH_f, kcal/mol:	49.91
Dipole, Da:	5.61
IP(EA), eV:	-8.91(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=CN=CN2C(=N1)[C@@H]3CCCCN3C(=O)C4=CC=NC=C4

DOS

IR

Vibrations