Geometry & MOs

Info

ID:	135608
PubChem CID:	51900972
Reduced:	NO3C14H25 (1)
Stoich.:	AB3C14D25 (1)
Weight, g/mol:	372.23995
ΔH_f, kcal/mol:	-183.74
Dipole, Da:	3.36
IP(EA), eV:	-9.64(0.54)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-[(3R)-3-ethyl-4-methylpiperazin-4-ium-1-yl]-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC[C@H]1CC(=O)C[C@H](N1C(=O)OC(C)(C)C)CC

DOS

IR

Vibrations