Geometry & MOs

Info

ID:	213680
PubChem CID:	81064636
Reduced:	NO4C11H15 (1)
Stoich.:	AB4C11D15 (1)
Weight, g/mol:	343.04192
ΔH_f, kcal/mol:	-160.17
Dipole, Da:	3.27
IP(EA), eV:	-9.62(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(3-bromophenoxy)propanoylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=C(OC=C1)C(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations