Geometry & MOs

Info

ID:	314791
PubChem CID:	126623169
Reduced:	F3O3N5H12C18 (1)
Stoich.:	A3B3C5D12E18 (1)
Weight, g/mol:	316.0335
ΔH_f, kcal/mol:	-139.46
Dipole, Da:	7.13
IP(EA), eV:	-9.81(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(aminomethyl)-N-(6-bromopyridin-2-yl)-4-fluoropyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=NN(C2=C1C=C(C=C2)C3=CN4C(=CC(=N4)C(F)(F)F)N=C3)CC(=O)O

DOS

IR

Vibrations