Geometry & MOs

Info

ID:	386759
PubChem CID:	134982819
Reduced:	BrH13C23 (2)
Stoich.:	AB13C23 (2)
Weight, g/mol:	189.15175
ΔH_f, kcal/mol:	193.05
Dipole, Da:	0.4
IP(EA), eV:	-8.5(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-cyclopenta-2,4-dien-1-ylidenepropyl)piperidine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C(=CC=C3)C4=C(C5=C(C6=CC=CC7=C6C8=C(C=CC=C85)C=C7)C(=C4)C9=CC=C(C=C9)Br)C1=CC=C(C=C1)Br

DOS

IR

Vibrations