Geometry & MOs

Info

ID:	382814
PubChem CID:	134974177
Reduced:	BrSi2O3C23H41 (1)
Stoich.:	AB2C3D23E41 (1)
Weight, g/mol:	248.17763
ΔH_f, kcal/mol:	-253.6
Dipole, Da:	3.67
IP(EA), eV:	-8.69(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,3R,7S,8R,9R,10S,14R)-7-hydroxy-3-methyltetracyclo[7.5.1.02,8.010,14]pentadecan-4-one

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC[C@@H]1[C@@H](C[C@@H](O1)C2=CC=C(C=C2)Br)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations