Geometry & MOs

Info

ID:	381501
PubChem CID:	134972258
Reduced:	O6C31H36 (1)
Stoich.:	A6B31C36 (1)
Weight, g/mol:	238.175292
ΔH_f, kcal/mol:	-187.24
Dipole, Da:	2.53
IP(EA), eV:	-9.32(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-[(E)-prop-1-enyl]-1-trimethylsilyloct-1-yn-3-ol

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]([C@@H]([C@H](OC1[C@@H](C(=O)C)O)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations