Geometry & MOs

Info

ID:	400330
PubChem CID:	135047604
Reduced:	CrNSiO6C20H21 (1)
Stoich.:	ABCD6E20F21 (1)
Weight, g/mol:	304.036083
ΔH_f, kcal/mol:	-49.37
Dipole, Da:	1.89
IP(EA), eV:	-6.96(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(6-methyl-3,4-dihydro-2H-pyran-5-yl)-2-[(2E)-penta-2,4-dienoxy]ethylidene]molybdenum

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=[Cr])NCCC#C[Si](C)(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]

DOS

IR

Vibrations