Geometry & MOs

Info

ID:	391300
PubChem CID:	135004212
Reduced:	NWO5C31H31 (1)
Stoich.:	ABC5D31E31 (1)
Weight, g/mol:	541.196583
ΔH_f, kcal/mol:	166.81
Dipole, Da:	7.81
IP(EA), eV:	-6.66(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1-butyl-2-cyclohexyl-4-phenyl-2H-azet-3-yl)-phenylmethylidene]tungsten

Drug info:

PubChemData

Smile

CCCCN1C(C(=C1C2=CC=CC=C2)C(=[W])C3=CC=CC=C3)C4CCCCC4.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]

DOS

IR

Vibrations