Geometry & MOs

Info

ID:	229169
PubChem CID:	87567099
Reduced:	O2H14C19 (1)
Stoich.:	A2B14C19 (1)
Weight, g/mol:	400.198224
ΔH_f, kcal/mol:	259.46
Dipole, Da:	2.51
IP(EA), eV:	-8.73(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	-6

Chem-info

IUPAC name:

cyclopentane;ditert-butyl-[(5-tert-butylcyclopenta-1,3-dien-1-yl)methyl]phosphane;iron

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)O.C1=CC=C2C(=C1)C3=CC=CC(=C23)C=O

DOS

IR

Vibrations