Geometry & MOs

Info

ID:	381780
PubChem CID:	134972609
Reduced:	CrO8H18C21 (1)
Stoich.:	AB8C18D21 (1)
Weight, g/mol:	310.066099
ΔH_f, kcal/mol:	-193.57
Dipole, Da:	6.85
IP(EA), eV:	-7.69(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4-hydroxy-2,6-dimethylphenyl)-(4-methylpent-4-en-2-ynoxymethoxy)methylidene]chromium

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C(=[Cr])OCOCC#CC(=C)C)C)O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]

DOS

IR

Vibrations