Geometry & MOs

Info

ID:	344219
PubChem CID:	127267395
Reduced:	NOF2H11C12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	204.089878
ΔH_f, kcal/mol:	-77.49
Dipole, Da:	4.51
IP(EA), eV:	-9.67(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-4-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

C=CC(=O)N1CC(C1)(C2=CC=CC=C2F)F

DOS

IR

Vibrations