Geometry & MOs

Info

ID:	216264
PubChem CID:	85085964
Reduced:	NO3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	248.128668
ΔH_f, kcal/mol:	-83.08
Dipole, Da:	2.44
IP(EA), eV:	-8.79(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[2-[2-(3-methoxyphenyl)ethenyl]-4,5-dihydro-1,3-oxazol-3-ium-3-yl]ethanol

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C=CC2=[N+](CCO2)CC[O-]

DOS

IR

Vibrations