Geometry & MOs

Info

ID:	198511
PubChem CID:	79112836
Reduced:	OF2N2C16H24 (1)
Stoich.:	AB2C2D16E24 (1)
Weight, g/mol:	250.056527
ΔH_f, kcal/mol:	-142.59
Dipole, Da:	4.85
IP(EA), eV:	-8.81(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrole-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)OC(F)F)N(C)C2CCC(CC2)N

DOS

IR

Vibrations