Geometry & MOs

Info

ID:	391299
PubChem CID:	135004211
Reduced:	NWH25C26 (1)
Stoich.:	ABC25D26 (1)
Weight, g/mol:	681.171156
ΔH_f, kcal/mol:	295.21
Dipole, Da:	3.86
IP(EA), eV:	-6.92(-0.79)
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;carbon monoxide

Drug info:

PubChemData

Smile

CCCCN1C(C(=C1C2=CC=CC=C2)C(=[W])C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations