Geometry & MOs

Info

ID:	265775
PubChem CID:	103545143
Reduced:	Br2O2N3H9C11 (1)
Stoich.:	A2B2C3D9E11 (1)
Weight, g/mol:	249.122575
ΔH_f, kcal/mol:	-17.4
Dipole, Da:	4.05
IP(EA), eV:	-9.11(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-amino-1-(2-imidazol-1-ylethyl)-2-methylimidazole-4-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(N(C=N1)C2=C(C=C(C=C2)Br)Br)N

DOS

IR

Vibrations