Geometry & MOs

Info

ID:	216263
PubChem CID:	85085963
Reduced:	NO4C13H13 (1)
Stoich.:	AB4C13D13 (1)
Weight, g/mol:	247.120843
ΔH_f, kcal/mol:	-117.63
Dipole, Da:	4.28
IP(EA), eV:	-9.3(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1C=NC2=C(C1=O)C(=CC=C2)OC

DOS

IR

Vibrations