Geometry & MOs

Info

ID:	48208
PubChem CID:	10537929
Reduced:	OC16H30 (1)
Stoich.:	AB16C30 (1)
Weight, g/mol:	239.095771
ΔH_f, kcal/mol:	-76.95
Dipole, Da:	1.59
IP(EA), eV:	-9.64(1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CCCCCCCCCC[C@H]1OCC=C

DOS

IR

Vibrations