Geometry & MOs

Info

ID:	394920
PubChem CID:	135024161
Reduced:	NO4C22H25 (1)
Stoich.:	AB4C22D25 (1)
Weight, g/mol:	406.148652
ΔH_f, kcal/mol:	-107.72
Dipole, Da:	2.72
IP(EA), eV:	-9.53(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z)-1-phenyl-3-triphenylphosphaniumylbuta-1,3-dien-1-olate

Drug info:

PubChemData

Smile

CC1(O[C@H]2C(O1)C([C@@H](O2)C=NCC3=CC=CC=C3)OCC4=CC=CC=C4)C

DOS

IR

Vibrations