Geometry & MOs

Info

ID:	197809
PubChem CID:	79000972
Reduced:	N2O5C13H20 (1)
Stoich.:	A2B5C13D20 (1)
Weight, g/mol:	181.090292
ΔH_f, kcal/mol:	-241.67
Dipole, Da:	7.83
IP(EA), eV:	-9.96(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-2,2-dimethyl-3,4-dihydro-1,4-benzoxazine

Drug info:

PubChemData

Smile

C1CCC(=O)N(CC1)CC(=O)N2C[C@@H](C[C@@H]2C(=O)O)O

DOS

IR

Vibrations