Geometry & MOs

Info

ID:	140277
PubChem CID:	52673627
Reduced:	O3N6C19H22 (1)
Stoich.:	A3B6C19D22 (1)
Weight, g/mol:	457.11134
ΔH_f, kcal/mol:	-33.01
Dipole, Da:	7.62
IP(EA), eV:	-9.24(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(3-bromophenyl)-N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-2-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCC1=C(NC(=C1C(=O)OC)C)C(=O)NC2=CC=CC(=C2)C3=NN=NN3C

DOS

IR

Vibrations