Geometry & MOs

Info

ID:	383151
PubChem CID:	134974715
Reduced:	Br2O2N5C11H14 (1)
Stoich.:	A2B2C5D11E14 (1)
Weight, g/mol:	406.94155
ΔH_f, kcal/mol:	-13.42
Dipole, Da:	8.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.765674
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2-amino-2,3-dihydro-1H-imidazol-4-yl)-3-oxopropyl]-4,5-dibromo-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C1=C(NC(=C1Br)Br)C(=O)NCCC(=O)C2=C[NH2+]C(N2)N

DOS

IR

Vibrations