Geometry & MOs

Info

ID:	9731
PubChem CID:	92661
Reduced:	NO2C13H25 (1)
Stoich.:	AB2C13D25 (1)
Weight, g/mol:	227.188529
ΔH_f, kcal/mol:	-120.97
Dipole, Da:	2.34
IP(EA), eV:	-9.92(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-ethyl-2-heptyl-5H-1,3-oxazol-4-yl)methanol

Drug info:

PubChemData

Smile

CCCCCCCC1=NC(CO1)(CC)CO

DOS

IR

Vibrations