Geometry & MOs

Info

ID:	274069
PubChem CID:	103806853
Reduced:	BrOSN2C11H15 (1)
Stoich.:	ABCD2E11F15 (1)
Weight, g/mol:	254.124212
ΔH_f, kcal/mol:	-12.04
Dipole, Da:	3.14
IP(EA), eV:	-9.19(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(aminomethyl)cyclopentyl]-2-(2,2,2-trifluoroethoxy)acetamide

Drug info:

PubChemData

Smile

CC1CN(CC(N1)C)C(=O)C2=CSC(=C2)Br

DOS

IR

Vibrations