Geometry & MOs

Info

ID:	401683
PubChem CID:	135052134
Reduced:	ClOPC25H26 (1)
Stoich.:	ABCD25E26 (1)
Weight, g/mol:	425.118081
ΔH_f, kcal/mol:	5.88
Dipole, Da:	6.17
IP(EA), eV:	-9.14(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-(4-nitrophenyl)-2-triphenylphosphaniumylethenolate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)C(=C)P(C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)Cl

DOS

IR

Vibrations