Geometry & MOs

Info

ID:	222295
PubChem CID:	85296360
Reduced:	NO2C21H29 (1)
Stoich.:	AB2C21D29 (1)
Weight, g/mol:	335.116901
ΔH_f, kcal/mol:	-87.46
Dipole, Da:	2.42
IP(EA), eV:	-9.42(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(6-fluoro-2,4-dioxo-4a,5,6,7,8,8a-hexahydrobenzo[e][1,3]oxazin-3-yl)benzoate

Drug info:

PubChemData

Smile

CC1CCCC2C1CCC(N2C(=O)OCC3=CC=CC=C3)CC=C

DOS

IR

Vibrations