Geometry & MOs

Info

ID:	44042
PubChem CID:	10500603
Reduced:	O8C19H34 (1)
Stoich.:	A8B19C34 (1)
Weight, g/mol:	390.183109
ΔH_f, kcal/mol:	-403.05
Dipole, Da:	2.24
IP(EA), eV:	-9.88(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3R,5R,7R,9S)-9-ethoxy-1-methoxy-3-methyl-4,4-diphenyltricyclo[5.2.0.03,5]nonane-2,6-dione

Drug info:

PubChemData

Smile

CC1=C[C@H](CC([C@]1(CCC(C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)(C)C)O

DOS

IR

Vibrations