Geometry & MOs

Info

ID:	280593
PubChem CID:	103850055
Reduced:	FNO3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	279.127072
ΔH_f, kcal/mol:	-141.57
Dipole, Da:	4.77
IP(EA), eV:	-9.78(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(azepan-1-yl)-2-oxoethoxy]-3-fluorobenzaldehyde

Drug info:

PubChemData

Smile

CCNC(=O)C(C)OC1=C(C=C(C=C1)C=O)F

DOS

IR

Vibrations