Geometry & MOs

Info

ID:	183265
PubChem CID:	76999753
Reduced:	N3C17H23 (1)
Stoich.:	A3B17C23 (1)
Weight, g/mol:	339.08339
ΔH_f, kcal/mol:	48.02
Dipole, Da:	3.51
IP(EA), eV:	-8.62(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-bromo-2-[2-methylpropyl(propan-2-yl)amino]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC(C)CNC1CC(NN1)C2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations