Geometry & MOs

Info

ID:	44551
PubChem CID:	10504025
Reduced:	NOI2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	330.03549
ΔH_f, kcal/mol:	-7.62
Dipole, Da:	3.97
IP(EA), eV:	-8.95(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-benzyl-2-ethyl-5-(iodomethyl)-4,5-dihydro-1,3-oxazol-3-ium

Drug info:

PubChemData

Smile

CCC1=[N+](CC(O1)CI)CC2=CC=CC=C2.[I-]

DOS

IR

Vibrations