Geometry & MOs

Info

ID:	217277
PubChem CID:	85087545
Reduced:	O4C21H32 (1)
Stoich.:	A4B21C32 (1)
Weight, g/mol:	348.23006
ΔH_f, kcal/mol:	-155.47
Dipole, Da:	2.62
IP(EA), eV:	-9.36(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-hydroxyethyl)-6-methyl-3-pentyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromene-1,9-diol

Drug info:

PubChemData

Smile

CC1=CC(OC1CCCCC#CCO)C=C(C)COC2CCCCO2

DOS

IR

Vibrations