Geometry & MOs

Info

ID:	124827
PubChem CID:	50897562
Reduced:	O3H20C21 (1)
Stoich.:	A3B20C21 (1)
Weight, g/mol:	241.067961
ΔH_f, kcal/mol:	-53.07
Dipole, Da:	3.67
IP(EA), eV:	-8.8(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

cyclopenta-1,3-diene;iron;1,3,5-trimethylbenzene

Drug info:

PubChemData

Smile

CC1(C=CC2=C(O1)C=CC(=C2OC)C(=O)/C=C/C3=CC=CC=C3)C

DOS

IR

Vibrations