Geometry & MOs

Info

ID:	159421
PubChem CID:	57280123
Reduced:	N3C10H11 (1)
Stoich.:	A3B10C11 (1)
Weight, g/mol:	234.99966
ΔH_f, kcal/mol:	53.64
Dipole, Da:	3.3
IP(EA), eV:	-8.43(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-methyl-2-phenyl-1H-pyrrole

Drug info:

PubChemData

Smile

C1C=NC2=C(N1)C3=C(CNC3)C=C2

DOS

IR

Vibrations