Geometry & MOs

Info

ID:	393045
PubChem CID:	135019104
Reduced:	NC9H9 (2)
Stoich.:	AB9C9 (2)
Weight, g/mol:	399.1987
ΔH_f, kcal/mol:	71.72
Dipole, Da:	2.92
IP(EA), eV:	-8.43(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-dibenzyl-3,5-diphenylpyrrole

Drug info:

PubChemData

Smile

CN1C[C@@](C2=CC=CC=C21)(CC#N)CC3=CC=CC=C3

DOS

IR

Vibrations