Geometry & MOs

Info

ID:	53391
PubChem CID:	14714885
Reduced:	CrNO4H19C23 (1)
Stoich.:	ABC4D19E23 (1)
Weight, g/mol:	467.118863
ΔH_f, kcal/mol:	-21.86
Dipole, Da:	4.53
IP(EA), eV:	-7.73(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbon monoxide;chromium;1,2-diphenyl-5,6,7,8,9,10,11,11a-octahydropyrrolo[1,2-a]azonin-3-one

Drug info:

PubChemData

Smile

[C-]#[O+].[C-]#[O+].[C-]#[O+].C1CCN2C(C1)C(=C(C2=O)C3=CC=CC=C3)C4=CC=CC=C4.[Cr]

DOS

IR

Vibrations