Geometry & MOs

Info

ID:	82196
PubChem CID:	49855746
Reduced:	SiO6C35H50 (1)
Stoich.:	AB6C35D50 (1)
Weight, g/mol:	201.115364
ΔH_f, kcal/mol:	-300.1
Dipole, Da:	3.37
IP(EA), eV:	-8.94(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,7R)-7-hydroxy-7-phenylhept-5-enenitrile

Drug info:

PubChemData

Smile

C[C@H](C[C@@H]1[C@@H]2[C@@H](C[C@H](O2)[C@@H]3[C@@H](OC(O3)(C)C)C=C)OC(O1)(C)C)CO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C

DOS

IR

Vibrations