Geometry & MOs

Info

ID:	343099
PubChem CID:	127266272
Reduced:	ClON5C17H20 (1)
Stoich.:	ABC5D17E20 (1)
Weight, g/mol:	336.00851
ΔH_f, kcal/mol:	25.91
Dipole, Da:	6.15
IP(EA), eV:	-8.56(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-bromo-2,3,4-trifluorophenyl)methyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(N(C1)CC2=CC(=CC=C2)NCC3=NN=C(C=C3)Cl)C(=O)N

DOS

IR

Vibrations