Geometry & MOs

Info

ID:	406232
PubChem CID:	135076981
Reduced:	CrO6H16C19 (1)
Stoich.:	AB6C16D19 (1)
Weight, g/mol:	252.06062
ΔH_f, kcal/mol:	73.94
Dipole, Da:	0.89
IP(EA), eV:	-7.16(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2E,4E)-5-phenyl-1-propan-2-yloxypenta-2,4-dienylidene]chromium

Drug info:

PubChemData

Smile

CC(C)OC(=[Cr])/C=C/C=C/C1=CC=CC=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]

DOS

IR

Vibrations