Geometry & MOs

Info

ID:	396971
PubChem CID:	135029526
Reduced:	BSSiO4F6C11H14 (1)
Stoich.:	ABCD4E6F11G14 (1)
Weight, g/mol:	256.14633
ΔH_f, kcal/mol:	-546.88
Dipole, Da:	14.31
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.890621
Charge, e:	0

Chem-info

IUPAC name:

(2R,10aR)-7-methoxy-2-methyl-3,9,10,10a-tetrahydro-1H-phenanthrene-2-carbaldehyde

Drug info:

PubChemData

Smile

[B-](C1=CC(=C(C(=C1)OS(=O)(=O)C(F)(F)F)[Si](C)(C)C)OC)(F)(F)F

DOS

IR

Vibrations