Geometry & MOs

Info

ID:	293672
PubChem CID:	117395971
Reduced:	FNO4C12H16 (1)
Stoich.:	ABC4D12E16 (1)
Weight, g/mol:	257.106336
ΔH_f, kcal/mol:	-194.8
Dipole, Da:	5.05
IP(EA), eV:	-9.68(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(8-fluoro-7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-N-methoxymethanamine

Drug info:

PubChemData

Smile

COCC1=C(C(=C(C=C1)OC)C(CC(=O)O)N)F

DOS

IR

Vibrations