Geometry & MOs

Info

ID:	443302
PubChem CID:	135258489
Reduced:	ClN2O3H7C8 (1)
Stoich.:	AB2C3D7E8 (1)
Weight, g/mol:	1034.647085
ΔH_f, kcal/mol:	-55.28
Dipole, Da:	2.24
IP(EA), eV:	-10.04(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[4-bis(2,4-dibutylphenoxy)phosphanylphenyl]phenyl]-bis(2,4-dibutylphenoxy)phosphane

Drug info:

PubChemData

Smile

COC(=O)C1=CN=CC(=C1)/C(=N/O)/Cl

DOS

IR

Vibrations