Geometry & MOs

Info

ID:	401957
PubChem CID:	135053575
Reduced:	NO2H13C20 (1)
Stoich.:	AB2C13D20 (1)
Weight, g/mol:	255.183444
ΔH_f, kcal/mol:	36.31
Dipole, Da:	3.64
IP(EA), eV:	-9.32(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylbutyl] acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC3=CC=CC(=C3O2)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations