Geometry & MOs

Info

ID:	125632
PubChem CID:	50930588
Reduced:	BrOC11H17 (1)
Stoich.:	ABC11D17 (1)
Weight, g/mol:	214.229666
ΔH_f, kcal/mol:	-55.54
Dipole, Da:	2.12
IP(EA), eV:	-9.84(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-tetradecan-4-ol

Drug info:

PubChemData

Smile

C[C@@H]([C@H]1[C@H]2[C@@H]1C(=O)C(CC2)(C)C)Br

DOS

IR

Vibrations