Geometry & MOs

Info

ID:	216364
PubChem CID:	85086100
Reduced:	FNO3H10C14 (1)
Stoich.:	ABC3D10E14 (1)
Weight, g/mol:	259.141973
ΔH_f, kcal/mol:	-104.05
Dipole, Da:	4.25
IP(EA), eV:	-9.16(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-ethyl 7-O-methyl 2-acetamidoheptanedioate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC=C2C=C(C=CC2=O)C(=O)O)F

DOS

IR

Vibrations