Geometry & MOs

Info

ID:	85015
PubChem CID:	49871310
Reduced:	NO8C20H33 (1)
Stoich.:	AB8C20D33 (1)
Weight, g/mol:	374.24571
ΔH_f, kcal/mol:	-372.78
Dipole, Da:	2.85
IP(EA), eV:	-9.55(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9S,10R)-10-ethoxy-6,6,9-trimethyl-3-pentyl-8,10-dihydro-7H-benzo[c]chromene-1,9-diol

Drug info:

PubChemData

Smile

CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)[C@H](CC(=O)OC)N(CC=C)C(=O)OC(C)(C)C)OC)C

DOS

IR

Vibrations