Geometry & MOs

Info

ID:	307323
PubChem CID:	125299585
Reduced:	BrON4H9C10 (1)
Stoich.:	ABC4D9E10 (1)
Weight, g/mol:	467.242021
ΔH_f, kcal/mol:	61.99
Dipole, Da:	1.5
IP(EA), eV:	-9.33(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-3-[[(2R)-1-[2-(diethylamino)ethyl]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-2,4-dimethyl-2H-pyrrole-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C2=NN=NC2)Br

DOS

IR

Vibrations