Geometry & MOs

Info

ID:	314799
PubChem CID:	126623269
Reduced:	BrFO4N7H23C26 (1)
Stoich.:	ABC4D7E23F26 (1)
Weight, g/mol:	297.04767
ΔH_f, kcal/mol:	-107.55
Dipole, Da:	5.66
IP(EA), eV:	-9.18(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-N-(6-bromo-3-methylpyridin-2-yl)-4-methylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=NN(C2=C1C=C(C=C2)C3=CN=C(N=C3)CO)CC(=O)N4C[C@@H](C[C@H]4C(=O)NC5=NC(=CC=C5)Br)F

DOS

IR

Vibrations