Geometry & MOs

Info

ID:	383150
PubChem CID:	134974714
Reduced:	O2N3C6H11 (1)
Stoich.:	A2B3C6D11 (1)
Weight, g/mol:	407.94938
ΔH_f, kcal/mol:	-62.94
Dipole, Da:	2.98
IP(EA), eV:	-8.61(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(NC(N1)N)C(=O)CCO

DOS

IR

Vibrations