Geometry & MOs

Info

ID:	171682
PubChem CID:	75412966
Reduced:	N2O3H12C13 (1)
Stoich.:	A2B3C12D13 (1)
Weight, g/mol:	228.089878
ΔH_f, kcal/mol:	-49.18
Dipole, Da:	3.66
IP(EA), eV:	-8.94(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(azetidin-1-yl)-3-(1,3-benzoxazol-2-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

COCC(=O)OCC1=CN2C=CC=CC2=C1C#N

DOS

IR

Vibrations