Geometry & MOs

Info

ID:	317545
PubChem CID:	126643221
Reduced:	BrO4N7H28C29 (1)
Stoich.:	AB4C7D28E29 (1)
Weight, g/mol:	344.0648
ΔH_f, kcal/mol:	-41.67
Dipole, Da:	5.9
IP(EA), eV:	-9.01(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-bromopyridin-2-yl)-4-[(dimethylamino)methyl]-4-fluoropyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=CC3=C(C=C2)N(N=C3C(=O)C)CC(=O)N4[C@@H](CC5([C@@H]4C5)COC)C(=O)NC6=NC(=CC=C6)Br

DOS

IR

Vibrations