Geometry & MOs

Info

ID:	249592
PubChem CID:	103090697
Reduced:	FNOSC16H24 (1)
Stoich.:	ABCDE16F24 (1)
Weight, g/mol:	307.159515
ΔH_f, kcal/mol:	-90.86
Dipole, Da:	5.14
IP(EA), eV:	-8.5(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(2,2-difluoroethoxy)ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCNC1CC(OC2=C1C=CC(=C2)F)CCCSC

DOS

IR

Vibrations