Geometry & MOs

Info

ID:	25075
PubChem CID:	618554
Reduced:	O3C20H26 (1)
Stoich.:	A3B20C26 (1)
Weight, g/mol:	314.188195
ΔH_f, kcal/mol:	-121.4
Dipole, Da:	4.73
IP(EA), eV:	-8.57(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hexyl-6-hydroxy-9-methyl-7,8,9,10-tetrahydrobenzo[c]chromen-1-one

Drug info:

PubChemData

Smile

CCCCCCC1=CC(=O)C2=C3CC(CCC3=C(OC2=C1)O)C

DOS

IR

Vibrations