Geometry & MOs

Info

ID:	264712
PubChem CID:	103484770
Reduced:	FNO3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	283.178358
ΔH_f, kcal/mol:	-144.94
Dipole, Da:	2.82
IP(EA), eV:	-8.8(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(5-ethyl-2-oxoazepan-1-yl)-4-oxopentanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCC(=O)CN1C=CC2=C1C=CC(=C2)F

DOS

IR

Vibrations