Geometry & MOs

Info

ID:	379954
PubChem CID:	134964396
Reduced:	O5C11H16 (1)
Stoich.:	A5B11C16 (1)
Weight, g/mol:	271.139241
ΔH_f, kcal/mol:	-199.9
Dipole, Da:	1.75
IP(EA), eV:	-10.39(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(1-methylindol-2-yl)-4-trimethylsilylbut-3-yn-1-ol

Drug info:

PubChemData

Smile

CCOC(=O)C1(C[C@@]1(C)C=O)C(=O)OCC

DOS

IR

Vibrations