Geometry & MOs

Info

ID:	387381
PubChem CID:	134985166
Reduced:	AlFeNPO2Cl4C18H32 (1)
Stoich.:	ABCDE2F4G18H32 (1)
Weight, g/mol:	461.159446
ΔH_f, kcal/mol:	-304.75
Dipole, Da:	11.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.021426
Charge, e:	0

Chem-info

IUPAC name:

hydrido-(2,4,6-tritert-butylphenyl)phosphanylidenetungsten

Drug info:

PubChemData

Smile

CC1=C([C](C(=C1C)C)C)C.CC(C)N(C(C)C)[PH3+].[C-]#[O+].[C-]#[O+].[Al-](Cl)(Cl)(Cl)Cl.[Fe]

DOS

IR

Vibrations