Geometry & MOs

Info

ID:	221409
PubChem CID:	85272555
Reduced:	O2C17H24 (1)
Stoich.:	A2B17C24 (1)
Weight, g/mol:	246.079313
ΔH_f, kcal/mol:	-79.7
Dipole, Da:	5.0
IP(EA), eV:	-9.42(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7aH-benzo[b][1,7]phenanthrolin-7-one

Drug info:

PubChemData

Smile

CC1CC2C(C3C1C4CCCCC4CC3)C(=O)C2=O

DOS

IR

Vibrations