Geometry & MOs

Info

ID:	388061
PubChem CID:	134988007
Reduced:	NOSiC13H27 (1)
Stoich.:	ABCD13E27 (1)
Weight, g/mol:	264.03611
ΔH_f, kcal/mol:	-93.87
Dipole, Da:	2.27
IP(EA), eV:	-8.95(1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-2-bromo-1-hydroxy-2-propylcyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC[C@@H]([C@@H](CC)O[Si](C)(C)C(C)(C)C)[N+]#[C-]

DOS

IR

Vibrations