Geometry & MOs

Info

ID:	381048
PubChem CID:	134971675
Reduced:	OPH14C18 (1)
Stoich.:	ABC14D18 (1)
Weight, g/mol:	278.086052
ΔH_f, kcal/mol:	70.26
Dipole, Da:	4.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.853778
Charge, e:	0

Chem-info

IUPAC name:

(E)-(2-diphenylphosphanylcyclopenta-2,4-dien-1-ylidene)methanol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)P(C2=CC=CC=C2)C\3=CC=C/C3=C\[O-]

DOS

IR

Vibrations