Geometry & MOs

Info

ID:	206840
PubChem CID:	80307783
Reduced:	OSN2C16H28 (1)
Stoich.:	ABC2D16E28 (1)
Weight, g/mol:	240.147393
ΔH_f, kcal/mol:	-60.51
Dipole, Da:	3.51
IP(EA), eV:	-9.35(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethyl-4-hydroxybutyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CSC(=N1)CNCC2(CCCCCC2)O

DOS

IR

Vibrations