Geometry & MOs

Info

ID:	220959
PubChem CID:	85247991
Reduced:	PO6C9H13 (1)
Stoich.:	AB6C9D13 (1)
Weight, g/mol:	248.094963
ΔH_f, kcal/mol:	-303.09
Dipole, Da:	4.47
IP(EA), eV:	-10.68(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,6a-dihydro-5H-benzo[b][1,7]phenanthrolin-7-one

Drug info:

PubChemData

Smile

C=CCOP1(=O)OCC2CC(=O)OC2CO1

DOS

IR

Vibrations