Geometry & MOs

Info

ID:	279362
PubChem CID:	103843427
Reduced:	NO2C18H27 (1)
Stoich.:	AB2C18D27 (1)
Weight, g/mol:	268.178693
ΔH_f, kcal/mol:	-109.58
Dipole, Da:	6.2
IP(EA), eV:	-9.35(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-N-[2-ethyl-2-(hydroxymethyl)butyl]-5-methyl-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)C1=CC2=C(CCCC2)C=C1)CO

DOS

IR

Vibrations