Geometry & MOs

Info

ID:	406253
PubChem CID:	135077002
Reduced:	CrO8C21H22 (1)
Stoich.:	AB8C21D22 (1)
Weight, g/mol:	314.0974
ΔH_f, kcal/mol:	-227.97
Dipole, Da:	4.74
IP(EA), eV:	-8.35(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-1,4-diethoxy-4-methyl-3-phenoxypent-2-enylidene]chromium

Drug info:

PubChemData

Smile

CCOC(=[Cr])/C=C(/C(C)(C)OCC)\OC1=CC=CC=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]

DOS

IR

Vibrations