Geometry & MOs

Info

ID:	424350
PubChem CID:	135122323
Reduced:	BrON3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	343.112777
ΔH_f, kcal/mol:	-5.08
Dipole, Da:	4.69
IP(EA), eV:	-9.04(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-trityl-2H-pyrrole

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Br)NC(=C2)C(=O)NCCCN

DOS

IR

Vibrations