Geometry & MOs

Info

ID:	306252
PubChem CID:	125003331
Reduced:	ON5C17H23 (1)
Stoich.:	AB5C17D23 (1)
Weight, g/mol:	311.163377
ΔH_f, kcal/mol:	8.78
Dipole, Da:	5.73
IP(EA), eV:	-8.84(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrazin-2-yl]benzoic acid

Drug info:

PubChemData

Smile

CC(C)C1=NC=CN1CCC(=O)N2CCC[C@H]2C3=NC=CN=C3

DOS

IR

Vibrations