Geometry & MOs

Info

ID:	84816
PubChem CID:	49870133
Reduced:	NO3C15H22 (2)
Stoich.:	AB3C15D22 (2)
Weight, g/mol:	684.34595
ΔH_f, kcal/mol:	-223.17
Dipole, Da:	2.47
IP(EA), eV:	-9.13(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pentacosa-10,12-diynyl(triphenyl)phosphanium;bromide

Drug info:

PubChemData

Smile

C/C=C\CC(C/C=C\NC(=O)C(C(C)(C)C)NC(=O)/C=C\C=C/C(=C/C(C)/C=C/C=C(\C(=O)O)/OC)/C)O

DOS

IR

Vibrations