Geometry & MOs

Info

ID:	85294
PubChem CID:	49873532
Reduced:	O5C15H22 (1)
Stoich.:	A5B15C22 (1)
Weight, g/mol:	306.034315
ΔH_f, kcal/mol:	-184.63
Dipole, Da:	2.21
IP(EA), eV:	-9.82(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopenta-1,3-diene;(4-cyclopenta-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-hydroxymethanolate;iron(2+)

Drug info:

PubChemData

Smile

CC1=C[C@H]2[C@@](CC1)([C@@]3([C@@H]([C@@H]([C@@H]([C@@]34CO4)O2)O)O)C)CO

DOS

IR

Vibrations