Geometry & MOs

Info

ID:	19655
PubChem CID:	569727
Reduced:	NO2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	203.094629
ΔH_f, kcal/mol:	-38.91
Dipole, Da:	2.33
IP(EA), eV:	-9.7(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-2-phenyl-4H-1,3-oxazin-5-one

Drug info:

PubChemData

Smile

CCC1C(=O)COC(=N1)C2=CC=CC=C2

DOS

IR

Vibrations