Geometry & MOs

Info

ID:	183242
PubChem CID:	76996997
Reduced:	NC17H19 (1)
Stoich.:	AB17C19 (1)
Weight, g/mol:	326.05176
ΔH_f, kcal/mol:	53.4
Dipole, Da:	2.58
IP(EA), eV:	-9.21(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-bromo-2-(2-methylpentoxy)phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC(=CCN)C(C1=CC=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations