Geometry & MOs

Info

ID:	196658
PubChem CID:	78859553
Reduced:	O2N4H18C19 (1)
Stoich.:	A2B4C18D19 (1)
Weight, g/mol:	415.08954
ΔH_f, kcal/mol:	2.38
Dipole, Da:	2.74
IP(EA), eV:	-9.25(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-3-methylphenyl)-5-oxo-N-(2,4,6-trimethylpyridin-3-yl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1NC(=O)C2=NN(C(=O)C=C2)C3=CC=CC=C3)C)C

DOS

IR

Vibrations