Geometry & MOs

Info

ID:	24140
PubChem CID:	608043
Reduced:	BrN3O4H10C13 (1)
Stoich.:	AB3C4D10E13 (1)
Weight, g/mol:	350.98547
ΔH_f, kcal/mol:	-56.27
Dipole, Da:	3.73
IP(EA), eV:	-9.42(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(4-bromophenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-c]pyrazole-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1C2C(C(=O)N(C2=O)C3=CC=C(C=C3)Br)N=N1

DOS

IR

Vibrations