Geometry & MOs

Info

ID:	13007
PubChem CID:	219944
Reduced:	O3H14C18 (1)
Stoich.:	A3B14C18 (1)
Weight, g/mol:	278.094294
ΔH_f, kcal/mol:	-75.72
Dipole, Da:	2.03
IP(EA), eV:	-8.88(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-acetylphenanthren-3-yl) acetate

Drug info:

PubChemData

Smile

CC(=O)C1=CC2=C(C=CC3=C2C=C(C=C3)OC(=O)C)C=C1

DOS

IR

Vibrations