Geometry & MOs

Info

ID:	341910
PubChem CID:	127264603
Reduced:	BrN2H7C11 (1)
Stoich.:	AB2C7D11 (1)
Weight, g/mol:	188.035255
ΔH_f, kcal/mol:	65.35
Dipole, Da:	4.79
IP(EA), eV:	-9.02(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carboxylic acid;hydrochloride

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)Br)C3=C(N2)C=CN=C3

DOS

IR

Vibrations