Geometry & MOs

Info

ID:	53392
PubChem CID:	14714889
Reduced:	CrNO4H25C26 (1)
Stoich.:	ABC4D25E26 (1)
Weight, g/mol:	481.134513
ΔH_f, kcal/mol:	19.63
Dipole, Da:	5.65
IP(EA), eV:	-7.84(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

[C-]#[O+].[C-]#[O+].[C-]#[O+].C1CCCC2C(=C(C(=O)N2CCC1)C3=CC=CC=C3)C4=CC=CC=C4.[Cr]

DOS

IR

Vibrations