Geometry & MOs

Info

ID:	406366
PubChem CID:	135077383
Reduced:	CrO4C11H11 (1)
Stoich.:	AB4C11D11 (1)
Weight, g/mol:	440.116518
ΔH_f, kcal/mol:	-84.16
Dipole, Da:	1.96
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.915524
Charge, e:	-1

Chem-info

IUPAC name:

carbanide;carbon monoxide;chromium;phenyl 3,3-dimethyl-1-oxa-4-azaspiro[4.5]decane-4-carboxylate

Drug info:

PubChemData

Smile

[CH3-].COC1=CC=CC=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]

DOS

IR

Vibrations