Geometry & MOs

Info

ID:	305660
PubChem CID:	124964282
Reduced:	O3N5C18H25 (1)
Stoich.:	A3B5C18D25 (1)
Weight, g/mol:	262.179361
ΔH_f, kcal/mol:	-49.12
Dipole, Da:	2.28
IP(EA), eV:	-9.79(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-5-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)CCC(=O)N2CCOC[C@H](C2)CC3=NC=NC=C3

DOS

IR

Vibrations