Geometry & MOs

Info

ID:	25609
PubChem CID:	627084
Reduced:	Cl3F7C8 (1)
Stoich.:	A3B7C8 (1)
Weight, g/mol:	328.203845
ΔH_f, kcal/mol:	-331.12
Dipole, Da:	1.01
IP(EA), eV:	-11.03(-2.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hydroxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-9-carbaldehyde

Drug info:

PubChemData

Smile

C1(=C(C(=C(C(=C1F)F)C(Cl)(Cl)Cl)F)F)C(F)(F)F

DOS

IR

Vibrations