Geometry & MOs

Info

ID:	294964
PubChem CID:	117509595
Reduced:	BrNO4C13H14 (1)
Stoich.:	ABC4D13E14 (1)
Weight, g/mol:	327.04701
ΔH_f, kcal/mol:	-142.54
Dipole, Da:	2.97
IP(EA), eV:	-8.68(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-4-[4-bromo-3-(cyclopropylmethoxy)phenyl]butanoic acid

Drug info:

PubChemData

Smile

C1COC2=C(C3=C(C(=C21)CC(C(=O)O)N)OCC3)Br

DOS

IR

Vibrations