Geometry & MOs

Info

ID:	339605
PubChem CID:	127261595
Reduced:	BrO2C14H23 (1)
Stoich.:	AB2C14D23 (1)
Weight, g/mol:	360.07249
ΔH_f, kcal/mol:	-119.6
Dipole, Da:	3.09
IP(EA), eV:	-9.96(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2-bromophenyl)-phenylmethyl] hexanoate

Drug info:

PubChemData

Smile

CCCCCC(=O)OC1CC/C=C\C(CC1)Br

DOS

IR

Vibrations