Geometry & MOs

Info

ID:	291692
PubChem CID:	113459692
Reduced:	OSN2C14H22 (1)
Stoich.:	ABC2D14E22 (1)
Weight, g/mol:	281.045486
ΔH_f, kcal/mol:	-22.52
Dipole, Da:	2.75
IP(EA), eV:	-8.98(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-2-methoxyphenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=C(SC(=N1)C2(CCCO2)C)CNC3CC3

DOS

IR

Vibrations