Geometry & MOs

Info

ID:	159926
PubChem CID:	57298693
Reduced:	ON2C12H18 (2)
Stoich.:	AB2C12D18 (2)
Weight, g/mol:	298.05684
ΔH_f, kcal/mol:	-51.85
Dipole, Da:	5.91
IP(EA), eV:	-8.03(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(bromomethyl)phenyl]pentyl acetate

Drug info:

PubChemData

Smile

CCCN1CCC[C@H]2[C@H]1CC3=C(N(C4=CC=CC2=C34)NC(=O)N(CC)CC)COC

DOS

IR

Vibrations