Geometry & MOs

Info

ID:	143874
PubChem CID:	53274394
Reduced:	O2N3C14H19 (1)
Stoich.:	A2B3C14D19 (1)
Weight, g/mol:	262.155552
ΔH_f, kcal/mol:	0.11
Dipole, Da:	9.65
IP(EA), eV:	-8.83(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[(butan-2-ylamino)methyl]-3-(4-methylphenyl)-2H-oxadiazol-3-ium-5-one

Drug info:

PubChemData

Smile

CCC(C)NCC1=C(ON=[N+]1C2=CC=C(C=C2)C)[O-]

DOS

IR

Vibrations