Geometry & MOs

Info

ID:	174838
PubChem CID:	75820333
Reduced:	SO4N5C16H28 (1)
Stoich.:	AB4C5D16E28 (1)
Weight, g/mol:	299.212338
ΔH_f, kcal/mol:	-50.74
Dipole, Da:	8.07
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752436
Charge, e:	1

Chem-info

IUPAC name:

5-tert-butyl-2-[[2-(2-methylphenyl)pyrrolidin-1-ium-1-yl]methyl]-1,3-oxazole

Drug info:

PubChemData

Smile

CC[NH+]1CCN(CC1)C(C)CNC2=C(C=C(C=C2)S(=O)(=O)NC)[N+](=O)[O-]

DOS

IR

Vibrations