Geometry & MOs

Info

ID:	225438
PubChem CID:	85786860
Reduced:	H17C19 (1)
Stoich.:	A17B19 (1)
Weight, g/mol:	404.90343
ΔH_f, kcal/mol:	109.56
Dipole, Da:	0.38
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.532581
Charge, e:	0

Chem-info

IUPAC name:

3,4-dibromo-1-[(2,4-dimethoxyphenyl)methyl]pyrrole-2,5-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC=CC=CC=[C+]C2=CC=CC=C2

DOS

IR

Vibrations