Geometry & MOs

Info

ID:	341841
PubChem CID:	127264534
Reduced:	BrClN2C9H12 (1)
Stoich.:	ABC2D9E12 (1)
Weight, g/mol:	496.221821
ΔH_f, kcal/mol:	3.77
Dipole, Da:	0.82
IP(EA), eV:	-9.7(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-bis(2-ethylpentyl)-1,4-dithiophen-2-ylpyrrolo[3,4-c]pyrrole-3,6-dione

Drug info:

PubChemData

Smile

C1CC(C1)(C2=NC=C(C=C2)Br)N.Cl

DOS

IR

Vibrations