Geometry & MOs

Info

ID:	382518
PubChem CID:	134973730
Reduced:	CrO7H20C21 (1)
Stoich.:	AB7C20D21 (1)
Weight, g/mol:	296.086835
ΔH_f, kcal/mol:	-45.8
Dipole, Da:	3.96
IP(EA), eV:	-7.48(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[hept-5-ynoxy-(4-hydroxy-2,6-dimethylphenyl)methylidene]chromium

Drug info:

PubChemData

Smile

CC#CCCCCOC(=[Cr])C1=C(C=C(C=C1C)O)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]

DOS

IR

Vibrations