Geometry & MOs

Info

ID:	140789
PubChem CID:	52760513
Reduced:	ClON4C21H29 (1)
Stoich.:	ABC4D21E29 (1)
Weight, g/mol:	294.218152
ΔH_f, kcal/mol:	-10.97
Dipole, Da:	4.74
IP(EA), eV:	-8.67(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3,5-dimethyl-N-[4-[(3S)-3-methylpiperidin-1-ium-1-yl]butyl]-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCN(C1)CCCCNC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)Cl

DOS

IR

Vibrations