Geometry & MOs

Info

ID:	184103
PubChem CID:	77109356
Reduced:	FN2O2C13H13 (1)
Stoich.:	AB2C2D13E13 (1)
Weight, g/mol:	280.122321
ΔH_f, kcal/mol:	-40.1
Dipole, Da:	6.09
IP(EA), eV:	-9.3(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-fluoro-6-methyl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC1CC1C2=CC=C(O2)C3=NC(=O)C(C(=N3)C)F

DOS

IR

Vibrations