Geometry & MOs

Info

ID:	53394
PubChem CID:	14714892
Reduced:	NOC24H27 (1)
Stoich.:	ABC24D27 (1)
Weight, g/mol:	425.071913
ΔH_f, kcal/mol:	5.34
Dipole, Da:	4.71
IP(EA), eV:	-8.87(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbon monoxide;chromium;6,7-diphenyl-1-azabicyclo[4.2.1]non-7-en-9-one

Drug info:

PubChemData

Smile

CC12CCCCCCCN1C(=O)C(=C2C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations