Geometry & MOs

Info

ID:	319457
PubChem CID:	126656090
Reduced:	NP2O5C8H15 (1)
Stoich.:	AB2C5D8E15 (1)
Weight, g/mol:	253.110279
ΔH_f, kcal/mol:	-195.93
Dipole, Da:	2.19
IP(EA), eV:	-9.64(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-ethylphenyl)-3-methyl-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

COC(=O)/C=C/O[C@@H](CN(P)P)C(=O)OC

DOS

IR

Vibrations