Geometry & MOs

Info

ID:	22719
PubChem CID:	598407
Reduced:	O3H16C18 (1)
Stoich.:	A3B16C18 (1)
Weight, g/mol:	280.109944
ΔH_f, kcal/mol:	-19.31
Dipole, Da:	5.03
IP(EA), eV:	-9.63(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-phenyl-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodeca-4,9-dien-4-yl)ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=C(C2C3C4C=CC(C3C1O2)O4)C5=CC=CC=C5

DOS

IR

Vibrations