Geometry & MOs

Info

ID:	45670
PubChem CID:	10516380
Reduced:	FNO2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	273.157623
ΔH_f, kcal/mol:	-93.64
Dipole, Da:	4.18
IP(EA), eV:	-8.42(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3R)-1-(2-aminoacetyl)oxy-3-(methoxymethyl)-2,2,3-trimethylcyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CC2(CC=C1C3=CNC4=C3C=C(C=C4)F)OCCO2

DOS

IR

Vibrations