Geometry & MOs

Info

ID:	158994
PubChem CID:	57244432
Reduced:	O3C18H28 (1)
Stoich.:	A3B18C28 (1)
Weight, g/mol:	335.05209
ΔH_f, kcal/mol:	-163.74
Dipole, Da:	3.47
IP(EA), eV:	-9.98(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-(4-bromophenoxy)-1-pyridin-3-ylpentan-3-ol

Drug info:

PubChemData

Smile

CCCCCC(=O)C=CC1CCC2C1CCC2OC(=O)C

DOS

IR

Vibrations