Geometry & MOs

Info

ID:	282277
PubChem CID:	103920944
Reduced:	ON3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	280.160935
ΔH_f, kcal/mol:	29.85
Dipole, Da:	2.57
IP(EA), eV:	-8.89(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8,8-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-oxabicyclo[4.2.0]octan-7-amine

Drug info:

PubChemData

Smile

CCOC1CC(C1)NCC2=CN(N=C2)C3=CC=CC=C3

DOS

IR

Vibrations