Geometry & MOs

Info

ID:	294966
PubChem CID:	117509755
Reduced:	BrNO3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	327.04701
ΔH_f, kcal/mol:	-133.15
Dipole, Da:	2.93
IP(EA), eV:	-9.25(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-bromo-2-morpholin-4-ylphenyl)butanoic acid

Drug info:

PubChemData

Smile

C1CCC2=CC(=C(C(=C2CC1)CC(C(=O)O)N)O)Br

DOS

IR

Vibrations