Geometry & MOs

Info

ID:	200633
PubChem CID:	79418530
Reduced:	BrOC15H21 (1)
Stoich.:	ABC15D21 (1)
Weight, g/mol:	269.141579
ΔH_f, kcal/mol:	-52.49
Dipole, Da:	3.7
IP(EA), eV:	-9.2(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-methylphenyl)methyl]-4-pyridin-2-ylbutanoic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(CCC2CCCO2)CBr

DOS

IR

Vibrations