Geometry & MOs

Info

ID:	314783
PubChem CID:	126623065
Reduced:	BrFO4N8H26C28 (1)
Stoich.:	ABC4D8E26F28 (1)
Weight, g/mol:	289.103811
ΔH_f, kcal/mol:	-94.93
Dipole, Da:	3.73
IP(EA), eV:	-9.29(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethoxy-2,3,3-trifluoro-N-pyridin-2-ylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=CC3=C(C=C2)N(N=C3C(=O)C)CC(=O)N4CCC(C4(C(=O)NC5=NC(=CC=C5)Br)NC(=O)C)F

DOS

IR

Vibrations