Geometry & MOs

Info

ID:	222442
PubChem CID:	85300746
Reduced:	NO5C18H19 (1)
Stoich.:	AB5C18D19 (1)
Weight, g/mol:	329.162708
ΔH_f, kcal/mol:	-156.86
Dipole, Da:	5.25
IP(EA), eV:	-8.56(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzyl-4-(furan-2-yl)-2,2,6-trimethyl-5-oxido-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-ium

Drug info:

PubChemData

Smile

CC1=CCC2C(C1)(C(=O)C(=O)N2C3=CC=C(C=C3)OC)C(=O)OC

DOS

IR

Vibrations