Geometry & MOs

Info

ID:	384375
PubChem CID:	134976870
Reduced:	C5H6 (6)
Stoich.:	A5B6 (6)
Weight, g/mol:	306.174867
ΔH_f, kcal/mol:	56.16
Dipole, Da:	0.56
IP(EA), eV:	-8.66(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-[[butyl(dimethyl)phosphaniumyl]-phenylmethyl]-4-oxopent-2-en-2-olate

Drug info:

PubChemData

Smile

C1CC/C=C/2\C(C3(\C2=C/CCCCCC3)C4=CC=CC=C4)(CCC1)C5=CC=CC=C5

DOS

IR

Vibrations