Geometry & MOs

Info

ID:	146697
PubChem CID:	53730935
Reduced:	O2C9H14 (2)
Stoich.:	A2B9C14 (2)
Weight, g/mol:	286.09938
ΔH_f, kcal/mol:	-218.6
Dipole, Da:	3.81
IP(EA), eV:	-10.16(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-hydroxy-8,10a-dihydro-6aH-benzo[a]pyren-7-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1=C(CCCC1)C(=O)OC2CCCCC2

DOS

IR

Vibrations