Geometry & MOs

Info

ID:	16860
PubChem CID:	477816
Reduced:	N3O3C18H23 (1)
Stoich.:	A3B3C18D23 (1)
Weight, g/mol:	329.173942
ΔH_f, kcal/mol:	-40.83
Dipole, Da:	3.93
IP(EA), eV:	-8.83(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[3-(diethylamino)-1,2-oxazol-5-yl]-3-hydroxyphenoxy]pentanenitrile

Drug info:

PubChemData

Smile

CCN(CC)C1=NOC(=C1)C2=C(C=C(C=C2)OCCCCC#N)O

DOS

IR

Vibrations