Geometry & MOs

Info

ID:	277579
PubChem CID:	103829611
Reduced:	FN2O2C11H11 (1)
Stoich.:	AB2C2D11E11 (1)
Weight, g/mol:	280.122321
ΔH_f, kcal/mol:	-88.13
Dipole, Da:	2.88
IP(EA), eV:	-9.72(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-fluoro-2-hydroxybenzoyl)-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

CN(CCC#N)C(=O)C1=C(C=C(C=C1)F)O

DOS

IR

Vibrations