Geometry & MOs

Info

ID:	156306
PubChem CID:	56370031
Reduced:	OS3N4C20H24 (1)
Stoich.:	AB3C4D20E24 (1)
Weight, g/mol:	411.01493
ΔH_f, kcal/mol:	46.92
Dipole, Da:	8.7
IP(EA), eV:	-8.42(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=CS3)C(C)C

DOS

IR

Vibrations