Geometry & MOs

Info

ID:	390520
PubChem CID:	134999539
Reduced:	SiO2C16H30 (1)
Stoich.:	AB2C16D30 (1)
Weight, g/mol:	254.188195
ΔH_f, kcal/mol:	-163.23
Dipole, Da:	3.12
IP(EA), eV:	-8.54(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (11R)-11-hydroxy-12-methyltridec-9-ynoate

Drug info:

PubChemData

Smile

CCC[C@H]1C=C[C@@H](O[Si](O1)(C(C)C)C(C)C)/C=C/C

DOS

IR

Vibrations