Geometry & MOs

Info

ID:	306208
PubChem CID:	125002701
Reduced:	O2N3C18H23 (1)
Stoich.:	A2B3C18D23 (1)
Weight, g/mol:	311.163377
ΔH_f, kcal/mol:	-17.99
Dipole, Da:	4.76
IP(EA), eV:	-9.27(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[[(3R)-1-methylpiperidin-3-yl]methyl]pyrazin-2-yl]benzoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CCC(=O)N2CCNC[C@@H]2C3=CC=CC=C3

DOS

IR

Vibrations