Geometry & MOs

Info

ID:	273966
PubChem CID:	103806144
Reduced:	BrClON2C11H12 (1)
Stoich.:	ABCD2E11F12 (1)
Weight, g/mol:	240.108562
ΔH_f, kcal/mol:	-27.13
Dipole, Da:	5.32
IP(EA), eV:	-9.4(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone

Drug info:

PubChemData

Smile

C1CN(CC1N)C(=O)C2=C(C=CC(=C2)Cl)Br

DOS

IR

Vibrations