Geometry & MOs

Info

ID:	220309
PubChem CID:	85177282
Reduced:	O3C15H16 (1)
Stoich.:	A3B15C16 (1)
Weight, g/mol:	244.109944
ΔH_f, kcal/mol:	-74.15
Dipole, Da:	2.32
IP(EA), eV:	-8.62(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6a,9,10,10a-tetrahydro-6H-benzo[c]chromen-9-yl acetate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C=C2C=CC3(O2)CCCO3

DOS

IR

Vibrations