Geometry & MOs

Info

ID:	415065
PubChem CID:	135088051
Reduced:	ON3C20H25 (1)
Stoich.:	AB3C20D25 (1)
Weight, g/mol:	324.12407
ΔH_f, kcal/mol:	1.35
Dipole, Da:	4.79
IP(EA), eV:	-8.77(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-1,2-oxazol-5-yl)-1-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CC2(CCC3=CN=C(N=C32)C4=CC=CC=C4)CN(C1)CCCO

DOS

IR

Vibrations