Geometry & MOs

Info

ID:	388088
PubChem CID:	134988126
Reduced:	NO4C12H21 (1)
Stoich.:	AB4C12D21 (1)
Weight, g/mol:	252.03611
ΔH_f, kcal/mol:	-204.84
Dipole, Da:	4.57
IP(EA), eV:	-9.56(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-bromo-3-ethyl-2-hydroxy-2-methylhexanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)CC(C)C(C(=O)N1CCCC1)O

DOS

IR

Vibrations