Geometry & MOs

Info

ID:	269561
PubChem CID:	103617956
Reduced:	BrNOSC14H14 (1)
Stoich.:	ABCDE14F14 (1)
Weight, g/mol:	269.087492
ΔH_f, kcal/mol:	3.57
Dipole, Da:	4.98
IP(EA), eV:	-9.4(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CNC(=O)C2=C(C=CS2)Br

DOS

IR

Vibrations