Geometry & MOs

Info

ID:	66093
PubChem CID:	46491081
Reduced:	BrN3O4H16C20 (1)
Stoich.:	AB3C4D16E20 (1)
Weight, g/mol:	401.07389
ΔH_f, kcal/mol:	-52.86
Dipole, Da:	3.36
IP(EA), eV:	-8.99(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-3-methylphenyl)-5-oxo-N-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NNC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=C(O3)Br

DOS

IR

Vibrations