Geometry & MOs

Info

ID:	14026
PubChem CID:	401614
Reduced:	BrN2O4H21C22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	456.06847
ΔH_f, kcal/mol:	-133.51
Dipole, Da:	4.1
IP(EA), eV:	-9.35(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-bromophenyl)-1-(2,5-dimethylphenyl)-3-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)Br)C(N2)(C)C(=O)O

DOS

IR

Vibrations