Geometry & MOs

Info

ID:	312580
PubChem CID:	126606553
Reduced:	NO4C9H19 (1)
Stoich.:	AB4C9D19 (1)
Weight, g/mol:	204.01498
ΔH_f, kcal/mol:	-184.04
Dipole, Da:	1.83
IP(EA), eV:	-9.36(1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-5-bromo-3,5-dimethylhex-1-yn-3-ol

Drug info:

PubChemData

Smile

COCCNCC1[C@H]([C@@H](CCO1)O)O

DOS

IR

Vibrations