Geometry & MOs

Info

ID:	191405
PubChem CID:	78143240
Reduced:	NF3O4C7H12 (1)
Stoich.:	AB3C4D7E12 (1)
Weight, g/mol:	243.089543
ΔH_f, kcal/mol:	-346.55
Dipole, Da:	3.86
IP(EA), eV:	-10.19(1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7a-methyl-3-phenyl-3a,4-dihydro-1,3-benzoxazole-2,5-dione

Drug info:

PubChemData

Smile

C(C(C1C(C(C(N1)C(F)(F)F)O)O)O)O

DOS

IR

Vibrations