Geometry & MOs

Info

ID:	150870
PubChem CID:	53790567
Reduced:	NO2C30H63 (1)
Stoich.:	AB2C30D63 (1)
Weight, g/mol:	273.136493
ΔH_f, kcal/mol:	-181.04
Dipole, Da:	5.0
IP(EA), eV:	-9.32(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-methyl-3-[2-(4-methylphenyl)ethyl]-1,2-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCC)(C(C)O)[O-]

DOS

IR

Vibrations