Geometry & MOs

Info

ID:	395347
PubChem CID:	135025224
Reduced:	SiO3C18H34 (1)
Stoich.:	AB3C18D34 (1)
Weight, g/mol:	326.151809
ΔH_f, kcal/mol:	-194.43
Dipole, Da:	1.47
IP(EA), eV:	-8.86(1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,9S)-2-ethynyl-7,7-dimethyl-9-phenylmethoxy-3,11-dioxatricyclo[6.2.1.01,6]undecan-4-one

Drug info:

PubChemData

Smile

CC1(O[C@H]([C@H](O1)C(C)(C)CO[Si](C)(C)C(C)(C)C)CC#C)C

DOS

IR

Vibrations