Geometry & MOs

Info

ID:	410459
PubChem CID:	135083256
Reduced:	PO3N4H31C38 (1)
Stoich.:	AB3C4D31E38 (1)
Weight, g/mol:	623.221203
ΔH_f, kcal/mol:	131.25
Dipole, Da:	18.38
IP(EA), eV:	-7.39(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(N-[(Z)-C-(4-methoxyphenyl)-N-(4-nitroanilino)carbonimidoyl]anilino)-triphenylphosphanium

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C(=N/[N-]C2=CC=C(C=C2)[N+](=O)[O-])/N(C3=CC=CC=C3)[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations